SCHEMBL31441198

SCHEMBL31441198

COCc1ccc2c(c1O)C(=O)c1ccc(O)c(OC)c1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 12/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ APEX1 P27695 3/20 0.44
▸ RECQL P46063 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ MAOA P21397 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.44

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
SCHEMBL31441202 0.91 NPC1 (0.43) ELANEMEN1MAPTKMT2AALDH1A1
SCHEMBL1426442 0.74 SMN1; SMN2 (0.70) ELANEMEN1MAPTKMT2AALDH1A1
SCHEMBL29906115 0.74 SMN1; SMN2 (0.70) ELANEMEN1MAPTKMT2AALDH1A1
SCHEMBL8425545 0.73 EPHX2 (0.40) ELANEMEN1MAPTKMT2AALDH1A1
SCHEMBL19462002 0.73 MAOA (0.66) ELANEMEN1MAPTKMT2AALDH1A1
SCHEMBL29066471 0.73 EPHX2 (0.52) ELANEMEN1MAPTKMT2AALDH1A1
SCHEMBL16226288 0.72 EPHX2 (0.54) ELANEMEN1MAPTKMT2AKDM4E
SCHEMBL30951266 0.72 EPHX2 (0.50) ELANEMEN1MAPTKMT2AALDH1A1
SCHEMBL12143330 0.71 KDM4E (0.46) MEN1MAPTKMT2AALDH1A1APEX1
SCHEMBL16227013 0.70 EGFR (0.57) ELANEMEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119318684-A Traditional Chinese medicine composition for preventing and treating ovarian failure syndrome and application thereof 杭州玖熙健康管理发展(集团)有限公司 2025-01-17 — — CN disclosed
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