SCHEMBL8935935

SCHEMBL8935935

CCC(CC)(c1ccccc1C#N)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.42
NAMPT P43490 1/20 0.36
TSHR P16473 3/20 0.36
AR P10275 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ACP3 P15309 1/20 0.34
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
NLRP3 Q96P20 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1585204 0.82 TSHR (0.41) PTPN5TSHRALDH1A1GAAACP3
SCHEMBL6886173 0.82 IMPDH2 (0.40) PTPN5ARACP3
SCHEMBL11895632 0.81 AR (0.35) PTPN5ARALDH1A1KDM4E
SCHEMBL11499398 0.80 PTPN5 (0.40) PTPN5TSHRARALDH1A1GAA
SCHEMBL5033925 0.78 PTPN5 (0.45) PTPN5NAMPTTSHRARALDH1A1
SCHEMBL6703082 0.78 TSHR (0.38) PTPN5TSHRALDH1A1GAAACP3
SCHEMBL11235850 0.77 PTPN5 (0.40) PTPN5NAMPTTSHRARALDH1A1
SCHEMBL1035151 0.76 PGK1 (0.39) TSHRALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL9603131 0.76 PLCG1 (0.50)
SCHEMBL29024532 0.75 ACP3 (0.41) PTPN5GAAMAPK1KDM4EACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565191-A SUNSCREEN AGENTS 3V INC. (US) 1996-10-15 US disclosed
US-5446051-A Nervous system disorder and brain disorder ELI LILLY AND COMPANY (US) 1995-08-29 US disclosed
EP-0658341-A1 Cosmetic and dermatological compositions for the protection against UV radiation containing stilbene derivatives 3V SIGMA S.p.A (IT) 1995-06-21 EP disclosed
US-5152922-A 1,4-DISTYRYLBENZENE COMPOUNDS AND MIXTURES THEREOF WITH OTHER 1,4-DISTYRYBENZENE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-5072016-A MIXTURES OF FLUORESCENT WHITENING AGENTS CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
EP-0252009-B1 1,4-DISTYRYL BENZENE COMPOUNDS AND THEIR MIXTURES WITH OTHER 1,4-DISTYRYL BENZENE COMPOUNDS CIBA-GEIGY AG (CH) 1990-08-01 EP disclosed
US-4891153-A Mixtures of fluorescent whitening agents CIBA-GEIGY CORPORATION (US) 1990-01-02 US disclosed
US-4867906-A Mixtures of fluorescent whitening agents CIBA-GEIGY CORPORATION (US) 1989-09-19 US disclosed
US-4778622-A Mixtures of fluorescent whitening agents CIBA-GEIGY CORPORATION (US) 1988-10-18 US disclosed
EP-0238446-A1 Mixtures of optical brighteners CIBA-GEIGY AG (CH) 1987-09-23 EP disclosed
EP-0115690-A1 Dibenzocycloheptenylidenes AMERICAN HOME PRODUCTS CORPORATION (US) 1984-08-15 EP disclosed
EP-0019172-A1 6-Substituted 11-alkylene-morphantridines, process for preparing them and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1980-11-26 EP disclosed
US-4223035-A ANTIDEPRESSANT, ANTICHOLINERGIC, HORMONE INHIBITOR SANDOZ LTD. (CH) 1980-09-16 US disclosed
US-4167628-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1979-09-11 US disclosed