SCHEMBL7991757

SCHEMBL7991757

CC1(C)CCN(c2ccc(-c3nc(C(=O)O)c(-c4ccc(Cl)cc4)[nH]3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.42
KCNH2 Q12809 2/20 0.42
BCL2L1 Q07817 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHEK2 O96017 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRKAB2 O43741 3/20 0.39
PRKAG1 P54619 3/20 0.39
PRKAA2 P54646 3/20 0.39

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
SCHEMBL7991843 0.88 AURKA (0.45) DGAT1USP2ALDH1A1HPGDALOX12
SCHEMBL7988137 0.87 PRKAB2 (0.52) DGAT1KCNH2ALDH1A1CYP1A2CYP2C9
SCHEMBL7989662 0.86 LMNA (0.45) DGAT1ALDH1A1HPGDCHEK2KMT2A
SCHEMBL7977723 0.86 SIRT2 (0.48) LMNAMAPT
SCHEMBL7991773 0.85 PARP1 (0.51) USP2ALDH1A1CHEK2KMT2ALMNA
SCHEMBL7989957 0.85 USP2 (0.48) DGAT1USP2ALDH1A1CHEK2KMT2A
SCHEMBL7978156 0.84 AKR1C3 (0.47) DGAT1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7989670 0.83 BRD4 (0.41) DGAT1USP2ALDH1A1CYP1A2CYP2C9
SCHEMBL7977718 0.83 PRKAB2 (0.48) DGAT1KCNH2ALDH1A1HPGDHSD17B10
SCHEMBL7991701 0.82 MALT1 (0.41) DGAT1CHEK2KMT2ALMNAMAPT

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed