SCHEMBL10596018

SCHEMBL10596018

CCCCCOC(=O)CNC(=O)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.53
CNR1 P21554 4/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
PLK1 P53350 1/20 0.48
HDAC8 Q9BY41 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
Hydrochloric Acid SCHEMBL6927452 0.84 CDC25B (0.55) CNR2ALDH1A1PLK1HDAC8MMP3
SCHEMBL3792160 0.81 PLK1 (0.58) CNR2CNR1ALDH1A1PLK1HDAC8
SCHEMBL31060081 0.81 PLK1 (0.58) CNR2CNR1ALDH1A1PLK1HDAC8
SCHEMBL2117237 0.80 TSHR (0.73) CNR2CNR1CYP2C9TSHRTP53
SCHEMBL14058606 0.80 TSHR (0.66) CNR2CNR1TSHRPLK1HDAC8
SCHEMBL4407176 0.79 ALDH1A1 (0.74) CNR2CNR1CYP2C9TSHRTP53
SCHEMBL1286894 0.79 NAAA (0.67) CNR2CNR1TSHRMAPK1PLK1
SCHEMBL9288049 0.79 ALDH1A1 (0.74) CNR2CNR1CYP2C9TSHRTP53
SCHEMBL20100237 0.79 ALDH1A1 (0.74) CNR2CNR1CYP2C9TSHRTP53
SCHEMBL30295637 0.79 ALDH1A1 (0.74) CNR2CNR1CYP2C9TSHRTP53

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-0322256-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP disclosed