SCHEMBL13780967

SCHEMBL13780967

Cc1[nH]c(C)c(C(=O)OO)c1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 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
SCHEMBL13488596 0.82 NPSR1 (0.66) HPGDNPSR1ALDH1A1SMN1; SMN2NPC1
SCHEMBL6960896 0.80 HPGD (0.44) HPGDNPSR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL15803898 0.78 NPSR1 (0.47) HPGDNPSR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL11652842 0.78 HPGD (0.72) HPGDALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL10142193 0.75 POLB (0.32) HPGDNPSR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL8145766 0.73 CYP1A2 (0.67) HPGDNPSR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL11584471 0.73 ALDH1A1 (0.52) HPGDNPSR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL6968502 0.73 CYP1A2 (0.43) HPGDNPSR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL15806516 0.72 HPGD (0.54) HPGDALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL14090615 0.72 KMT2A (0.33) HPGDNPSR1ALDH1A1MAPK1KDM4E

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-20090177267-A1 Medical devices and methods for local delivery of angiotensin II type 2 receptor antagonists WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2009-07-09 US disclosed