SCHEMBL30809642

SCHEMBL30809642

O=C(O)c1ccc2c(c1)C=CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SRD5A2 P31213 5/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 3/20 0.41
CA9 Q16790 3/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
GAA P10253 1/20 0.41
PTGS2 P35354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP2 O95551 1/20 0.40
SRD5A1 P18405 3/20 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
SCHEMBL484995 1.00 ALDH1A1 (0.48) ALDH1A1SRD5A2CA12CA1CA2
Hydrochloric Acid SCHEMBL27838744 0.98 ALDH1A1 (0.47) ALDH1A1SRD5A2CA12CA1CA2
SCHEMBL28188386 0.87 ALDH1A1 (0.39) ALDH1A1SRD5A2CA12CA1CA2
SCHEMBL4589714 0.86 ALDH1A1 (0.50) ALDH1A1SRD5A2CA12CA1CA2
Hydrochloric Acid SCHEMBL27447092 0.85 ALDH1A1 (0.48) ALDH1A1SRD5A2CA12CA1CA2
SCHEMBL27356467 0.85 ALDH1A1 (0.48) ALDH1A1SRD5A2CA12CA1CA2
SCHEMBL23100767 0.83 RAB9A (0.52) ALDH1A1KDM4EMAPTL3MBTL1KMT2A
SCHEMBL784887 0.83 KDM1A (0.41) ALDH1A1TSHRKDM4EMAPTPOLB
SCHEMBL6238988 0.81 ALDH1A1 (0.50) ALDH1A1SRD5A2CA12CA1CA2
SCHEMBL1478314 0.81 CYP2D6 (0.32) CYP2C19

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
CN-118613461-A Hybrid olefin composition comprising resin composition polymerizable by addition or polycondensation reaction 马特里亚公司 2024-09-06 CN claimed
EP-4573080-A1 INDANE AND COUMARAN DERIVATIVES AS FAST SKELETAL MUSCLE MYOSIN INHIBITORS Cytokinetics, Inc. (US) 2025-06-25 EP disclosed
WO-2024238872-A2 ISOINDOLINONE-GLUTARIMIDE ANTIBODY CONJUGATES, AND USES THEREOF FIREFLY BIO, INC. (US) 2024-11-21 WO disclosed
WO-2024040190-A1 INDANE AND COUMARAN DERIVATIVES AS FAST SKELETAL MUSCLE MYOSIN INHIBITORS CYTOKINETICS, INCORPORATED (US) 2024-02-22 WO disclosed