SCHEMBL8913087

SCHEMBL8913087

CCc1[c]ccc(-c2ccc(OC)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ESR2 Q92731 1/20 0.41
DYRK1A Q13627 2/20 0.41
MAOB P27338 2/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 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
SCHEMBL6570683 0.84 HRH2 (0.45) ABL1ABCB1BCRNPC1TP53
SCHEMBL3347952 0.80 MCL1 (0.37) NPC1RAB9A
SCHEMBL457740 0.80 CA1 (0.35) SMN1; SMN2TSHRCA12CA1CA2
SCHEMBL750293 0.79 ALOX5 (0.38) TP53SMN1; SMN2MAOBLMNA
SCHEMBL1370479 0.78 ALDH1A1 (0.36) TP53MAPK1SMN1; SMN2HPGDHDAC8
SCHEMBL10700341 0.77 DYRK1A (0.42) ABL1ABCB1BCRNPC1TP53
SCHEMBL27720539 0.77 ABL1 (0.47) ABL1ABCB1BCRNPC1TP53
SCHEMBL28824959 0.77 ABL1 (0.52) ABL1ABCB1BCRNPC1TP53
SCHEMBL28095381 0.77 ABL1 (0.47) ABL1ABCB1BCRNPC1TP53
SCHEMBL11099027 0.77 ABL1 (0.52) ABL1ABCB1BCRNPC1TP53

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
US-5596083-A CELLULOSE, POLYAMIDES, POLYURETHANES OR LEATHER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-01-21 US disclosed
EP-0719840-A1 Monoazo compounds and method for dyeing or printing fiber materials using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-03 EP disclosed