SCHEMBL10587723

SCHEMBL10587723

Oc1cccc(-c2ccccc2)c1CF

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
BCL2L1 Q07817 1/20 0.56
HSD17B10 Q99714 1/20 0.56
BACE1 P56817 4/20 0.46
ALOX5 P09917 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
HNF4A P41235 1/20 0.40
HDAC4 P56524 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BRD4 O60885 1/20 0.39
NR1I2 O75469 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ADORA3 P0DMS8 2/20 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
SCHEMBL11206474 0.83 HSD17B10 (0.60) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL28221492 0.83 ALDH1A1 (0.60) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL2683682 0.80 ALDH1A1 (0.56) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL15911092 0.80 ALDH1A1 (0.56) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL13824146 0.78 PDCD1 (0.56) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL323997 0.78 ALDH1A1 (0.54) ALDH1A1HPGDBCL2L1HSD17B10BACE1
Water SCHEMBL28266485 0.78 ALDH1A1 (0.54) ALDH1A1HPGDBCL2L1HSD17B10BACE1
Ammonia Solution, Strong SCHEMBL324959 0.78 ALDH1A1 (0.54) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL9307995 0.78 BCL2L1 (0.54) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL27880279 0.78 ALDH1A1 (0.58) ALDH1A1HPGDBCL2L1HSD17B10BACE1

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
EP-0315701-A1 BIPHENYL COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 1989-05-17 EP disclosed