SCHEMBL31533145

SCHEMBL31533145

Cc1cc(CO)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.51
RECQL P46063 1/20 0.42
MCL1 Q07820 1/20 0.42
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
TTR P02766 1/20 0.40
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL93063 1.00 S1PR1 (0.51) S1PR1RECQLMCL1S1PR2S1PR4
SCHEMBL29434783 0.83 ALDH1A1 (0.47) S1PR1MCL1ESR1ESR2PTPN7
SCHEMBL12333663 0.83 ALDH1A1 (0.47) S1PR1MCL1ESR1ESR2PTPN7
SCHEMBL92958 0.82 S1PR1 (0.51) S1PR1RECQLTTRHSD17B10SMN1; SMN2
SCHEMBL19767027 0.82 HTR2A (0.47) S1PR1MCL1TTRKMT2ASMN1; SMN2
SCHEMBL81132 0.79 IGF1R (0.44) S1PR1MCL1ALDH1A1
SCHEMBL9889466 0.79 LTA4H (0.52) MCL1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1291043 0.79 TTR (0.40) S1PR1MCL1ESR1ESR2TTR
SCHEMBL12643 0.79 TRPA1 (0.43) S1PR1MCL1ESR1ESR2PTPN7
SCHEMBL93048 0.78 S1PR1 (0.47) S1PR1RECQLESR1ESR2HSD17B10

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
CN-119569635-A Biaryl ring inhibitors targeting c-Myc proteins 上海深势唯思科技有限责任公司 2025-03-07 CN disclosed