SCHEMBL9701892

SCHEMBL9701892

C=C=C(CN)Cc1cccc(O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
IAPP P10997 3/20 0.38
ADAMTS4 O75173 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EGFR P00533 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
FYN P06241 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MMP8 P22894 1/20 0.37
CA6 P23280 1/20 0.37
CDK2 P24941 1/20 0.37
MMP12 P39900 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9701903 0.86 TAAR1 (0.52) TAAR1CA2
SCHEMBL9701911 0.80 TAAR1 (0.35) TAAR1ADAMTS4ALDH1A1EGFRCA1
SCHEMBL29531687 0.75 TAAR1 (0.68) TAAR1IAPPADAMTS4ALDH1A1EGFR
SCHEMBL68660 0.75 TAAR1 (0.68) TAAR1IAPPADAMTS4ALDH1A1EGFR
Hydrochloric Acid SCHEMBL10880379 0.74 TAAR1 (0.65) TAAR1IAPPADAMTS4ALDH1A1EGFR
SCHEMBL9702814 0.73 LMNA (0.39) TAAR1ADAMTS4ALDH1A1EGFRCA1
SCHEMBL9701941 0.72 TYR (0.47) ALOX15TDP1
Ethylenediamine SCHEMBL6041178 0.71 AKR1B1 (0.62) TAAR1IAPPALDH1A1HPGDRECQL
SCHEMBL366656 0.71 ADAMTS4 (0.52) TAAR1IAPPADAMTS4ALDH1A1EGFR
SCHEMBL11107999 0.70 TAAR1 (0.41) TAAR1IAPPADAMTS4ALDH1A1EGFR

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-5120764-A Administering penicillamine and allenylamines to inhibit crosslinking of collagen MERRELL DOW PHARMACEUTICALS INC. (US) 1992-06-09 US disclosed
EP-0374440-A2 Inhibitors of lysyl oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-27 EP disclosed