SCHEMBL8602993

SCHEMBL8602993

CCC(NS(=O)(=O)C=Cc1ccccc1)(Oc1cccc2c1CCCC2)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
RXRA P19793 7/20 0.38
RXRB P28702 6/20 0.38
RXRG P48443 5/20 0.38
MCL1 Q07820 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8603482 0.83 ALDH1A1 (0.36) ALDH1A1HTTLMNASMN1; SMN2GAA
SCHEMBL8601740 0.81 ALDH1A1 (0.47) ALDH1A1HTTLMNAGAAMEN1
SCHEMBL8603481 0.74 ALDH1A1 (0.43) ALDH1A1HTTMCL1POLBKDM4E
SCHEMBL8604539 0.74 ALDH1A1 (0.42) ALDH1A1HTTLMNAGAAMEN1
SCHEMBL8604561 0.74 ALDH1A1 (0.44) ALDH1A1HTTLMNAKMT2APOLB
SCHEMBL8602990 0.72 GAA (0.44) ALDH1A1HTTRXRARXRBRXRG
SCHEMBL9377864 0.66 RXRA (0.47) ALDH1A1RXRARXRBRXRGMCL1
SCHEMBL8603718 0.64 ALDH1A1 (0.47) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL8600745 0.64 PTGIR (0.40) ALDH1A1GAA
SCHEMBL24440183 0.63 SSTR4 (0.58) RXRARXRBRXRGMCL1LMNA

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-5723493-A PROSTAGLANDIN DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1998-03-03 US disclosed