SCHEMBL10683152

SCHEMBL10683152

CCOC(=O)C=C(C(=O)OCC)N1CCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
NOTUM Q6P988 3/20 0.57
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
POLB P06746 2/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 4/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL10683148 1.00 ALDH1A1 (0.67) ALDH1A1NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL10682781 0.93 GAA (0.60) ALDH1A1NOTUMSMN1; SMN2POLBGAA
SCHEMBL10682774 0.93 GAA (0.60) ALDH1A1NOTUMSMN1; SMN2POLBGAA
SCHEMBL8904589 0.81 ALDH1A1 (0.65) ALDH1A1NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL29554766 0.80 NPC1 (0.71) ALDH1A1NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL2116912 0.80 NPC1 (0.71) ALDH1A1NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL10678854 0.78 NOTUM (0.61) ALDH1A1NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL10678314 0.76 NOTUM (0.52) ALDH1A1NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL10678307 0.76 NOTUM (0.52) ALDH1A1NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL26695252 0.75 ALDH1A1 (0.49) ALDH1A1NOTUMNPC1RAB9ASMN1; SMN2

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-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