SCHEMBL3719892

SCHEMBL3719892

CC(C)Sc1ccc(Oc2ccc3cc(CC=O)ccc3n2)c(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL3720275 0.88 LMNA (0.32) LMNASMN1; SMN2CYP1A2CYP2C19HIF1A
SCHEMBL3720538 0.88 LMNA (0.31) LMNASMN1; SMN2CYP1A2CYP2C19HIF1A
SCHEMBL3726169 0.85 HPGD (0.34) ACACBLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL3720478 0.85 GLA (0.40) ACACBLMNASMN1; SMN2CYP1A2
SCHEMBL3720633 0.84 SMN1; SMN2 (0.33) ACACBLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL3724124 0.82 MTNR1A (0.49) ACACBLMNAHIF1AMAPTRXFP1
SCHEMBL3720459 0.82 ACACB (0.38) ACACB
SCHEMBL3721014 0.80 ACACB (0.41) ACACB
SCHEMBL3720162 0.80 ALDH1A1 (0.31) LMNASMN1; SMN2CYP1A2CYP2C19HTT
SCHEMBL3719889 0.80 PDE4B (0.42) ACACBLMNASMN1; SMN2CYP1A2CYP2C19

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
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed