SCHEMBL30940359

SCHEMBL30940359

Cc1ccc(/C=C/c2ccc(O)cc2)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.58
NQO2 P16083 3/20 0.57
LCK P06239 1/20 0.57
APP P05067 5/20 0.56
KDM4E B2RXH2 3/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
ALOX5 P09917 3/20 0.56
PTGS1 P23219 3/20 0.56
PTGS2 P35354 3/20 0.56
NPC1 O15118 3/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA3 P07451 2/20 0.56
CA4 P22748 2/20 0.56
CA6 P23280 2/20 0.56
CA5A P35218 2/20 0.56
CA7 P43166 2/20 0.56

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
SCHEMBL18130045 1.00 TUBB1 (0.58) TUBB1NQO2LCKAPPKDM4E
SCHEMBL18130043 1.00 TUBB1 (0.58) TUBB1NQO2LCKAPPKDM4E
SCHEMBL10974637 0.86 TUBB1 (0.61) TUBB1LCKKDM4EMAPTALOX5
SCHEMBL10974635 0.86 TUBB1 (0.61) TUBB1LCKKDM4EMAPTALOX5
SCHEMBL28940580 0.85 CYP2D6 (0.69) KDM4EMEN1MAPTKMT2AALOX5
SCHEMBL29538573 0.85 CYP2D6 (0.69) KDM4EMEN1MAPTKMT2AALOX5
SCHEMBL1825877 0.85 BACE1 (0.70) NQO2LCKAPPKDM4EMEN1
SCHEMBL1825879 0.85 BACE1 (0.70) NQO2LCKAPPKDM4EMEN1
SCHEMBL13170734 0.83 NPC1 (0.61) NQO2LCKAPPKDM4EMEN1
SCHEMBL18130119 0.83 PTGS1 (0.61) TUBB1NQO2LCKAPPKDM4E

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
EP-3280402-B1 TOLAN COMPOUNDS FOR PROMOTING WOUND HEALING BIOMENDICS LLC (US) 2024-06-05 EP disclosed