SCHEMBL19422232

SCHEMBL19422232

Cc1ccc2c(c1)CCc1cc(C)ccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.55
PARP11 Q9NR21 1/20 0.55
SRD5A1 P18405 3/20 0.50
METAP1 P53582 3/20 0.47
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ELANE P08246 1/20 0.39
CYP19A1 P11511 2/20 0.39
CYP11B2 P19099 2/20 0.39

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
SCHEMBL6853221 0.89 SRD5A1 (0.52) PARP10PARP11SRD5A1METAP1ALDH1A1
SCHEMBL7665011 0.87 PARP10 (0.46) PARP10PARP11SRD5A1METAP1CYP19A1
SCHEMBL10067747 0.87 PARP10 (0.46) PARP10PARP11SRD5A1METAP1CYP1A2
SCHEMBL803069 0.87 MIF (0.54) PARP10PARP11SRD5A1MAOAMAOB
SCHEMBL7435588 0.85 METAP1 (0.60) PARP10PARP11SRD5A1METAP1MAOA
SCHEMBL24994952 0.84 METAP1 (0.53) PARP10PARP11SRD5A1METAP1CYP1A2
SCHEMBL5956229 0.84 PARP10 (0.47) PARP10PARP11SRD5A1METAP1CYP1A2
SCHEMBL29726014 0.84 CASP1 (0.59) PARP10PARP11SRD5A1METAP1CYP1A2
SCHEMBL423287 0.84 CASP1 (0.59) PARP10PARP11SRD5A1METAP1CYP1A2
SCHEMBL27632859 0.84 CASP1 (0.59) PARP10PARP11SRD5A1METAP1CYP1A2

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
US-20170283546-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed