SCHEMBL9702814

SCHEMBL9702814

C=C=C(CN)COc1cccc(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
ADAMTS4 O75173 1/20 0.34
EGFR P00533 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
FYN P06241 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CA6 P23280 1/20 0.34

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
SCHEMBL9700908 0.78 HTR1B (0.57) LMNAHPGDHSD17B10ALDH1A1MAPT
SCHEMBL9701919 0.77 MEN1 (0.43) HPGDMAPTKDM4ERECQLTDP1
SCHEMBL9701657 0.77 AOC2 (0.55) LMNAALDH1A1ALOX15MAPTKDM4E
SCHEMBL9703273 0.76 LMNA (0.37) LMNAALDH1A1CYP3A4MAPK1GAA
SCHEMBL9701892 0.73 TAAR1 (0.44) LMNAHPGDHSD17B10ALDH1A1ALOX15
SCHEMBL25409990 0.73 KDM4E (0.59) LMNAHPGDHSD17B10ALDH1A1ALOX15
SCHEMBL9702218 0.73 APP (0.43) MAPK1TAAR1
SCHEMBL9702021 0.73 MAOB (0.50) ALOX15AOC2MAOAMAOBTAAR1
SCHEMBL9701922 0.71 ESR1 (0.41) LMNACYP3A4
SCHEMBL9701911 0.70 TAAR1 (0.35) LMNAHPGDHSD17B10ALDH1A1ALOX15

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