SCHEMBL11258848

SCHEMBL11258848

CCC(C)CCCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA2 P00918 2/20 0.40
CA1 P00915 2/20 0.38
PSMD10 O75832 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP24A1 Q07973 2/20 0.37
STAT3 P40763 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.35
G6PD P11413 1/20 0.35
GBA1 P04062 1/20 0.35

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
SCHEMBL8984151 0.99 CA12 (0.39) CA12CA9CA2CA1PSMD10
SCHEMBL8143786 0.95 CA12 (0.41) CA12CA9CA2CA1PSMD10
SCHEMBL9146743 0.95 CA12 (0.41) CA12CA9CA2CA1PSMD10
SCHEMBL10345660 0.95 CA12 (0.41) CA12CA9CA2CA1PSMD10
SCHEMBL4574543 0.89 CA12 (0.43) CA12CA9CA2CA1ALDH1A1
SCHEMBL9486162 0.89 CA12 (0.43) CA12CA9CA2CA1ALDH1A1
SCHEMBL10398217 0.89 PLA2G2C (0.42) CA12CA9CA2CA1PSMD10
SCHEMBL8984191 0.89 CA12 (0.44) CA12CA9CA2CA1PSMD10
SCHEMBL3575734 0.87 LMNA (0.40) CA12CA9CA2CA1PSMD10
SCHEMBL3577983 0.87 LMNA (0.40) CA12CA9CA2CA1PSMD10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337341-A 4a-Aryl-octahydro-1H-2-pyrindines ELI LILLY AND COMPANY (US) 1982-06-29 US disclosed
EP-0002937-A1 Novel pyrindines and their preparation, formulations and use ELI LILLY AND COMPANY (US) 1979-07-11 EP disclosed