SCHEMBL11723402

SCHEMBL11723402

CCC(C=O)c1ccc2c(=O)c3ccccc3ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.55
MAPK14 Q16539 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
PTPN1 P18031 1/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
CYP1B1 Q16678 2/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7678705 0.83 UGT2B7 (0.47) KMT2AMEN1CYP1A2CYP2D6HIF1A
SCHEMBL11704205 0.81 AKR1B1 (0.62) AKR1B1MAPK14KMT2AMEN1POLB
SCHEMBL11704256 0.77 AKR1B1 (0.58) AKR1B1MAPK14CYP1A2CYP2D6ALDH1A1
SCHEMBL9765546 0.77 AKR1B1 (0.69) AKR1B1MAPK14KMT2AALDH1A1HPGD
SCHEMBL11740509 0.77 AKR1C3 (0.35) AKR1B1KMT2AMEN1CYP2D6
SCHEMBL11600936 0.76 AKR1B1 (0.68) AKR1B1ALDH1A1HPGDMAPT
SCHEMBL11707101 0.74 AKR1B1 (0.66) AKR1B1MAPK14KMT2ACYP1A2ALDH1A1
SCHEMBL11708963 0.74 AKR1B1 (0.66) AKR1B1MAPK14KMT2ACYP1A2ALDH1A1
SCHEMBL11693368 0.74 AKR1B1 (0.58) AKR1B1MAPK14CYP1A2CYP2D6ALDH1A1
Potassium Ion SCHEMBL11694910 0.74 AKR1B1 (0.58) AKR1B1MAPK14CYP1A2CYP2D6ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4051260-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC SYNTEX (U.S.A.) INC. (US) 1977-09-27 US claimed
US-4051260-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC SYNTEX (U.S.A.) INC. (US) 1977-09-27 US disclosed
US-3975540-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC SYNTEX (U.S.A.) INC. (US) 1976-08-17 US disclosed