SCHEMBL9839331

SCHEMBL9839331

Cc1cc(N(C)C(=O)O)ccc1-c1ccc(N(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
HSD17B1 P14061 1/20 0.41
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
PRKCI P41743 1/20 0.40
PRKCZ Q05513 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ESR2 Q92731 1/20 0.39
FFAR1 O14842 1/20 0.38
PGR P06401 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL9839322 0.77 ALDH1A1 (0.38) HSD17B1HPGDMAPTALDH1A1RAB9A
SCHEMBL585950 0.77 ALDH1A1 (0.46) HSD17B1MAPTALDH1A1RAB9ANPC1
SCHEMBL4008894 0.76 ESR1 (0.41) HPGDMAPTALDH1A1RAB9ANPC1
SCHEMBL16491626 0.75 ESR2 (0.55) MAPTALDH1A1RAB9ANPC1ESR2
SCHEMBL13049645 0.75 ALDH1A1 (0.54) HPGDMAPTALDH1A1RAB9ANPC1
SCHEMBL13698356 0.75 ALDH1A1 (0.45) HSD17B1MAPTALDH1A1RAB9ANPC1
SCHEMBL2092040 0.73 GPBAR1 (0.48) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL11723702 0.73 S100B (0.50) MAPTALDH1A1ESR2
SCHEMBL18556032 0.73 RAB9A (0.43) MAPTALDH1A1RAB9ANPC1MEN1
SCHEMBL11788282 0.72 HDAC1 (0.44) HSD17B1HDAC6HDAC1HPGDMAPT

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
US-5037654-A Polyacrylamide SAFER, INC. (US) 1991-08-06 US claimed
US-5037654-A Polyacrylamide SAFER, INC. (US) 1991-08-06 US disclosed