SCHEMBL13311410

SCHEMBL13311410

CCCC/N=c1/ccc2c(-c3ccccc3C(=O)O)c3ccc(NCCCC)cc3oc-2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.42
▸ USP2 O75604 3/20 0.41
▸ CFTR P13569 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ GOPC Q9HD26 1/20 0.41
▸ FTO Q9C0B1 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ BRCA1 P38398 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 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
SCHEMBL12056733 1.00 ABCB1 (0.42) ABCB1USP2CFTRPAX8ATM
SCHEMBL13295456 0.96 ABCB1 (0.40) ABCB1USP2CFTRPAX8ATM
SCHEMBL13295473 0.91 PTPN11 (0.39) ABCB1USP2CFTRPAX8ATM
SCHEMBL13295457 0.89 ABCB1 (0.41) ABCB1USP2CFTRPAX8ATM
SCHEMBL12056751 0.87 FTO (0.38) ABCB1USP2CFTRPAX8ATM
SCHEMBL6056220 0.86 ABCB1 (0.43) ABCB1USP2CFTRPAX8ATM
SCHEMBL12056738 0.86 ABCB1 (0.43) ABCB1USP2CFTRPAX8ATM
SCHEMBL6056224 0.86 ABCB1 (0.43) ABCB1USP2CFTRPAX8ATM
SCHEMBL10595794 0.86 FPR2 (0.41) ABCB1USP2CFTRPAX8ATM
Hydrochloric Acid SCHEMBL28449515 0.85 USP2 (0.43) ABCB1USP2CFTRPAX8ATM

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-20100159383-A1 METHOD FOR PRODUCING COLOR PRINT KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2010-06-24 — — US disclosed
Send feedback