SCHEMBL9488102

SCHEMBL9488102

CC(c1ccc2cccccc1-2)c1ccc2cccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PTGS2 P35354 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41
CYP2A6 P11509 1/20 0.41
MAPK1 P28482 1/20 0.41
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL1576728 0.86 CA12 (0.56) CA12CA1CA2CA9PTGS2
SCHEMBL11207850 0.83 ESR1 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL8679281 0.82 TYR (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL3854616 0.82 ALDH1A1 (0.43) CA12CA1CA2CA9PTGS2
SCHEMBL3852918 0.82 CA12 (0.44) CA12CA1CA2CA9PTGS2
SCHEMBL3264500 0.80 ABL1 (0.50) CA12CA1CA2CA9BCL2L1
SCHEMBL22589013 0.79 CA12 (0.59) CA12CA1CA2CA9CDC25A
SCHEMBL11205794 0.78 KMT2A (0.43) CA12CA1CA2CA9CDC25A
Benzene SCHEMBL28765069 0.78 CA1 (0.58) CA12CA1CA2CA9ALDH1A1
SCHEMBL146177 0.78 CA1 (0.58) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295144-B1 OPTICAL RECORDING MEDIUM CANON KABUSHIKI KAISHA (JP) 1993-03-17 EP disclosed
US-4921780-A DIAZULENIUM SALT CANON KABUSHIKI KAISHA (JP) 1990-05-01 US disclosed
EP-0295144-A1 Optical recording medium CANON KABUSHIKI KAISHA (JP) 1988-12-14 EP disclosed