SCHEMBL10678307

SCHEMBL10678307

CCOC(=O)/C=C(/C(=O)OCC)N1c2ccccc2CC1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 2/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP2C9 P11712 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
MITF O75030 1/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL10678314 1.00 NOTUM (0.52) NOTUMALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL10683326 0.85 NOTUM (0.49) NOTUMALDH1A1KDM4EPKMLMNA
SCHEMBL10686003 0.85 PKM (0.51) NOTUMALDH1A1KDM4EPKMCYP1A2
SCHEMBL15187564 0.81 NOTUM (0.65) NOTUMALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL10683148 0.76 ALDH1A1 (0.67) NOTUMALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL10683152 0.76 ALDH1A1 (0.67) NOTUMALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL10681617 0.74 ALDH1A1 (0.46) NOTUMALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL10682774 0.74 GAA (0.60) NOTUMALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL10682781 0.74 GAA (0.60) NOTUMALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL26103579 0.72 ALDH1A1 (0.50) NOTUMALDH1A1KDM4ESMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4792609-A SUNSCREEN AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1988-12-20 US claimed
EP-0207287-A2 Indole derivatives, process for their preparation and cosmetic preparation containing them BAYER AG (DE) 1987-01-07 EP claimed
US-4792609-A SUNSCREEN AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1988-12-20 US disclosed
EP-0207287-A2 Indole derivatives, process for their preparation and cosmetic preparation containing them BAYER AG (DE) 1987-01-07 EP disclosed