SCHEMBL444146

SCHEMBL444146

Nc1[c]ccc(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
CDC25B P30305 1/20 0.41
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
TSHR P16473 3/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27946268 0.83 PARP1 (0.42) KDM4EMAPTTSHRPOLBL3MBTL1
SCHEMBL27946263 0.81 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL4581962 0.76 KDM4E (0.47) KDM4EGAA
SCHEMBL5453339 0.76 ATM (0.41) KDM4EMAPTTSHRGAAL3MBTL1
SCHEMBL2404955 0.76 ACHE (0.35)
SCHEMBL5857066 0.76 KDM4E (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2467941 0.76 CA12 (0.46) KDM4EMAPTTSHRGAACA12
SCHEMBL490251 0.76 KDM4E (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1205901 0.74 TSHR (0.48) KDM4EMAPTTSHRGAACA12
SCHEMBL27860665 0.74 TSHR (0.40) KDM4EMAPTTSHRGAACA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717141-A Formononetin derivative and preparation method and application thereof 云南大学 2021-11-30 CN claimed
CN-113712970-A Application of formononetin derivative in preparation of medicine for treating or preventing perimenopausal syndrome 云南大学 2021-11-30 CN claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed
CN-113712970-B Application of formononetin derivative in preparation of medicine for treating or preventing perimenopausal syndrome 云南大学 2022-11-11 CN disclosed
CN-113712970-A Application of formononetin derivative in preparation of medicine for treating or preventing perimenopausal syndrome 云南大学 2021-11-30 CN disclosed
CN-113717141-A Formononetin derivative and preparation method and application thereof 云南大学 2021-11-30 CN disclosed
CN-103418115-B Golf DUNLOP SPORTS CO., LTD. (JP) 2016-05-11 CN disclosed
CN-103446718-B Golf and its manufacture method DUNLOP SPORTS CO., LTD. (JP) 2016-01-20 CN disclosed
CN-102526995-B Golf ball SRI SPORTS LTD 2015-04-15 CN disclosed
CN-102526997-B Golf ball DUNLOP SPORTS CO LTD 2015-04-15 CN disclosed
US-20140335517-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA RENASCIENCE CO LTD (JP) 2014-11-13 US disclosed
CN-1416429-A Pyrimidine derivatives having antitumor activity SHIONOGI & CO (JP) 2003-05-07 CN disclosed
EP-1251129-A1 PYRIMIDINE DERIVATIVES HAVING ANTITUMOR EFFECT SHIONOGI & CO., LTD. (JP) 2002-10-23 EP disclosed
US-6420367-B1 RAS GENE SHIONOGO & CO., LTD. (JP) 2002-07-16 US disclosed
CN-1317003-A Pyrimidine derivatives having antitumor activity SHIONOGI & CO (JP) 2001-10-10 CN disclosed
EP-1097933-A1 PYRIMIDINE DERIVATIVES EXHIBITING ANTITUMOR ACTIVITY SHIONOGI & CO., LTD. (JP) 2001-05-09 EP disclosed
US-4463173-A ANTIBIOTIC, BACTERICIDE ICI PHARMA (FR) 1984-07-31 US disclosed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP disclosed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP disclosed