SCHEMBL18516675

SCHEMBL18516675

COc1ccc(C(CC(=O)Oc2cccc(C(CC(=O)O)n3ccnc3)c2)n2ccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.50
CYP24A1 Q07973 5/20 0.49
CYP19A1 P11511 4/20 0.46
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.43
CYP26A1 O43174 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL20830319 0.86 CYP19A1 (0.59) CYP17A1CYP24A1CYP19A1KMT2AATM
SCHEMBL18123005 0.86 CYP19A1 (0.59) CYP17A1CYP24A1CYP19A1KMT2AATM
SCHEMBL21181022 0.86 CYP17A1 (0.47) CYP17A1CYP24A1CYP19A1KMT2ACYP26A1
SCHEMBL21976067 0.84 CYP24A1 (0.39) CYP17A1CYP24A1CYP26A1
SCHEMBL21419724 0.81 P2RY14 (0.46) CYP17A1CYP24A1CYP19A1KMT2ACYP26A1
SCHEMBL19054885 0.81 CYP19A1 (0.58) CYP17A1CYP24A1CYP19A1KMT2ACYP26A1
SCHEMBL21419725 0.80 CYP24A1 (0.49) CYP17A1CYP24A1CYP19A1KMT2ACYP26A1
SCHEMBL21419722 0.80 CYP24A1 (0.47) CYP17A1CYP24A1CYP19A1KMT2ACYP26A1
SCHEMBL21419663 0.79 CYP19A1 (0.56) CYP17A1CYP24A1CYP19A1KMT2ACYP26A1
SCHEMBL19054889 0.79 CYP17A1 (0.50) CYP17A1CYP24A1CYP19A1TDP1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3228641-B1 CURABLE COMPOSITION TOKYO OHKA KOGYO CO LTD (JP) 2019-07-03 EP disclosed
EP-3228641-A1 CURABLE COMPOSITION Tokyo Ohka Kogyo Co., Ltd. (JP) 2017-10-11 EP disclosed
WO-2017026448-A1 POLYIMIDE PRECURSOR COMPOSITION 東京応化工業株式会社 2017-02-16 WO disclosed