SCHEMBL28061597

SCHEMBL28061597

CCCCCCCCCCCCCCCCc1cc2c(C)cc(=O)oc2cc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.72
ALDH1A1 P00352 12/20 0.59
KDM4E B2RXH2 9/20 0.59
HPGD P15428 6/20 0.59
HSD17B10 Q99714 3/20 0.59
AKR1B1 P15121 2/20 0.59
CYP3A4 P08684 1/20 0.59
THRB P10828 1/20 0.59
CYP1A2 P05177 2/20 0.57
CASP1 P29466 2/20 0.57
CASP7 P55210 2/20 0.57
CYP2C19 P33261 1/20 0.57
GAA P10253 7/20 0.55
HTT P42858 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.51
ERAP1 Q9NZ08 1/20 0.51
MAPT P10636 3/20 0.50

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
SCHEMBL11442137 1.00 MCL1 (0.72) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8402004 1.00 MCL1 (0.72) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8359452 1.00 MCL1 (0.72) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8359237 0.84 MCL1 (1.00) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18032945 0.82 ALDH1A1 (0.62) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27527191 0.80 ALDH1A1 (0.63) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL308979 0.78 KDM4E (0.61) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31022581 0.78 ALDH1A1 (0.83) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2729633 0.78 ALDH1A1 (0.83) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL321639 0.78 ALDH1A1 (0.83) MCL1ALDH1A1KDM4EHPGDHSD17B10

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-105636707-A Methods of on-actuator temperature measurement ADVANCED LIQUID LOGIC INC 2016-06-01 CN disclosed