SCHEMBL11823375

SCHEMBL11823375

C=CCOc1cc(Cl)ccc1C(=O)CCN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HRH3 Q9Y5N1 7/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CHRM2 P08172 1/20 0.42

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
SCHEMBL29389586 1.00 TSHR (0.49) TSHRGAAKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL11826513 0.99 TSHR (0.48) TSHRGAAKDM4ENPC1RAB9A
SCHEMBL29358295 0.84 KDM4E (0.52) TSHRGAAKDM4EALDH1A1LMNA
SCHEMBL30485743 0.82 ALDH1A1 (0.52) TSHRGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL19124093 0.79 TSHR (0.57) TSHRGAAKDM4ENPC1RAB9A
SCHEMBL9172859 0.75 LMNA (0.58) GAAKDM4EALDH1A1LMNAKMT2A
SCHEMBL5575328 0.75 GAA (0.78) TSHRGAAKDM4ENPC1RAB9A
SCHEMBL11827857 0.75 GAA (0.64) TSHRGAAKDM4ENPC1RAB9A
SCHEMBL29833947 0.74 CNR1 (0.47) TSHRGAAALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL11035003 0.74 LMNA (0.57) TSHRGAAKDM4EALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3933918-A ANTITUSSIVE KYOWA HAKKO KOGYO CO., LTD. (JA) 1976-01-20 — — US disclosed
US-3933918-A ANTITUSSIVE KYOWA HAKKO KOGYO CO., LTD. (JA) 1976-01-20 — — US disclosed
Send feedback