SCHEMBL31060888

SCHEMBL31060888

Cc1ccc(-c2cc(=O)c3c(C)c(C)c(C)cc3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 1.00
▸ AR P10275 2/20 0.58
▸ CCNC P24863 1/20 0.56
▸ CDK8 P49336 1/20 0.56
▸ MAOB P27338 4/20 0.55
▸ TNKS O95271 2/20 0.55
▸ PARP1 P09874 2/20 0.55
▸ TNKS2 Q9H2K2 2/20 0.55
▸ PARP2 Q9UGN5 1/20 0.55
▸ CSNK2A2 P19784 5/20 0.51
▸ CSNK2B P67870 5/20 0.51
▸ CSNK2A1 P68400 5/20 0.51
▸ ABCB1 P08183 4/20 0.49
▸ TP53 P04637 3/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ABCG2 Q9UNQ0 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 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
SCHEMBL16521506 0.82 ADORA3 (0.69) ADORA3ARCCNCCDK8MAOB
SCHEMBL25449242 0.79 AR (0.73) ADORA3ARCCNCCDK8MAOB
SCHEMBL12636897 0.76 CYP1B1 (0.81) ARCCNCCDK8MAOBTNKS
SCHEMBL7606268 0.76 PTGS2 (0.61) ADORA3ARCCNCCDK8MAOB
SCHEMBL17265620 0.75 ABCB1 (0.80) ADORA3ARCCNCCDK8MAOB
SCHEMBL28588011 0.75 CSNK2A2 (0.61) ADORA3ARCCNCCDK8MAOB
SCHEMBL12636899 0.74 AR (1.00) ARCCNCCDK8MAOBTNKS
SCHEMBL15268315 0.74 MAOB (0.68) ADORA3CDK8MAOBTNKSTNKS2
SCHEMBL11856359 0.73 ADORA3 (0.57) ADORA3ARMAOBTNKSPARP1
SCHEMBL17265616 0.73 ABCB1 (0.81) ADORA3ARCCNCCDK8TNKS

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
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 — — WO disclosed
Send feedback