SCHEMBL6797316

SCHEMBL6797316

CC(C)(C)[C@@]1(C(=O)O)CCCC[C@@H]1c1ccc(Cn2c(Cl)nc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.42
PTAFR P25105 1/20 0.42
LMNA P02545 1/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
NOD1 Q9Y239 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6777744 0.75 TBXA2R (0.52) TBXA2RPTAFR
SCHEMBL5838256 0.74 CES2 (0.32) LMNACYP2C9
SCHEMBL6797313 0.74 PTAFR (0.43) TBXA2RPTAFRLMNATP53NOD1
SCHEMBL9422539 0.73 AGTR1 (0.51)
SCHEMBL5838310 0.71 ALDH1A1 (0.41)
SCHEMBL28989060 0.69 AGTR1 (0.67) TBXA2RLMNANOD1CYP1A2CYP2C9
SCHEMBL5838998 0.69 SMN1; SMN2 (0.48) LMNASMN1; SMN2KDM4E
SCHEMBL1169953 0.68 LMNA (0.70) TBXA2RLMNATP53SMN1; SMN2NOD1
SCHEMBL4088570 0.68 TP53 (0.71) TBXA2RLMNATP53SMN1; SMN2NOD1
SCHEMBL4097969 0.66 NOD1 (0.71) TBXA2RLMNATP53NOD1CYP1A2

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-6716849-B1 ISCHEMIC BRAIN DISORDERS; NEUROPROTECTANTS BAYER AKTIENGESELLSCHAFT (DE) 2004-04-06 US disclosed