SCHEMBL28331433

SCHEMBL28331433

Cc1ccc(-c2ccc(C(F)(F)F)cc2)n1Cc1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ MAPT P10636 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TP53 P04637 1/20 0.44
▸ THRB P10828 2/20 0.43
▸ FAAH O00519 1/20 0.42
▸ CMA1 P23946 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ EDNRB P24530 1/20 0.41
▸ EDNRA P25101 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL28331434 0.87 THRB (0.54) SMN1; SMN2MAPTTSHRKDM4EMEN1
SCHEMBL28878859 0.87 SMN1; SMN2 (0.57) SMN1; SMN2MAPTTSHRKDM4EMEN1
SCHEMBL28331422 0.84 MAPT (0.50) SMN1; SMN2MAPTTSHRKDM4EMEN1
SCHEMBL28331428 0.84 SMN1; SMN2 (0.55) SMN1; SMN2MAPTTSHRKDM4EMEN1
SCHEMBL28331420 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MAPTTSHRKDM4EMEN1
SCHEMBL21373574 0.83 SMN1; SMN2 (0.47) SMN1; SMN2MAPTTSHRKDM4EMEN1
SCHEMBL28331412 0.81 TRPV6 (0.48) SMN1; SMN2MAPTTSHRKDM4EMEN1
SCHEMBL28330025 0.79 TSHR (0.64) SMN1; SMN2MAPTTSHRKDM4EMEN1
SCHEMBL28331553 0.78 SMN1; SMN2 (0.52) SMN1; SMN2MAPTTSHRKDM4EKMT2A
SCHEMBL21381467 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TSHRKMT2ALMNATP53

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
CN-110494136-A Cytoprotective compounds and application thereof ETH ZUERICH 2019-11-22 — — CN claimed
CN-110494136-A Cytoprotective compounds and application thereof ETH ZUERICH 2019-11-22 — — CN disclosed
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