SCHEMBL25106966

SCHEMBL25106966

COC1=CC(C)C(c2ccc(OC)cc2)C=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
HTR2C P28335 1/20 0.38
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL25106882 0.73 IDO1 (0.39)
SCHEMBL25015134 0.71 MRGPRX2 (0.40) MAOAMAOB
SCHEMBL11928883 0.71 MRGPRX2 (0.40) MAOAMAOB
SCHEMBL20312038 0.68 MAOA (0.41) KDM1AMAOAMAOBCA1CA2
SCHEMBL22765394 0.66 LTA4H (0.33) CA1CA2CA7CA9CA12
SCHEMBL16155721 0.66 KDM1A (0.67) KDM1AMAOAMAOBCA1CA2
SCHEMBL31450919 0.66 KDM1A (0.67) KDM1AMAOAMAOBCA1CA2
SCHEMBL19141400 0.66 MRGPRX2 (0.37) MAOAMAOB
SCHEMBL19075425 0.66 MRGPRX2 (0.37) MAOAMAOB
SCHEMBL12875739 0.66 KDM1A (0.67) KDM1AMAOAMAOBCA1CA2

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-4012500-B1 RESIST UNDERLAYER FILM MATERIAL, PATTERNING PROCESS, AND METHOD FOR FORMING RESIST UNDERLAYER FILM SHINETSU CHEMICAL CO (JP) 2023-03-01 EP disclosed