SCHEMBL7316016

SCHEMBL7316016

Cc1cc(OCCCC(=O)O)cc([N+](=O)[O-])c1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.45
TSHR P16473 1/20 0.41
KDM4E B2RXH2 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
SIRT5 Q9NXA8 1/20 0.37
FFAR4 Q5NUL3 2/20 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
Hydrochloric Acid SCHEMBL7317408 0.99 MCL1 (0.44) MCL1TSHRKDM4ECYP1A2CYP3A4
SCHEMBL7306623 0.96 MCL1 (0.44) MCL1TSHRKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7311619 0.95 MCL1 (0.43) MCL1TSHRKDM4ECYP1A2CYP3A4
SCHEMBL7317402 0.89 MAPT (0.39) MCL1TSHRKDM4ECYP1A2CYP3A4
SCHEMBL7306772 0.87 MAPT (0.44) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7311614 0.85 MAPT (0.41) MCL1TSHRKDM4ECYP1A2CYP3A4
SCHEMBL7320131 0.83 MAPT (0.43) TSHRKDM4ECYP3A4L3MBTL1MAPT
SCHEMBL6501580 0.82 MCL1 (0.47) MCL1TSHRKDM4ECYP1A2CYP3A4
SCHEMBL7313412 0.81 TSHR (0.48) TSHRKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7319798 0.81 ALB (0.40) MCL1MAPTMEN1KMT2AFFAR1

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
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed