SCHEMBL9843890

SCHEMBL9843890

CC(C)c1cccc(C(C)C)c1N(C(=O)CC(N)=O)c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
NLRP3 Q96P20 2/20 0.38
LMNA P02545 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
HTR2B P41595 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
Hydrochloric Acid SCHEMBL4542716 0.97 SMN1; SMN2 (0.40) SMN1; SMN2GABRA1GABRG2GABRB3NLRP3
SCHEMBL28944746 0.80 GABRA1 (0.34) SMN1; SMN2GABRA1GABRG2GABRB3NLRP3
SCHEMBL7909023 0.79 GABRA1 (0.43) SMN1; SMN2GABRA1GABRG2GABRB3LMNA
SCHEMBL9844148 0.78 KMT2A (0.41) LMNAKMT2AMEN1
SCHEMBL9844435 0.77
Hydrochloric Acid SCHEMBL4533374 0.75 ALDH1A1 (0.38) NLRP3LMNACYP1A2CYP3A4HPGD
SCHEMBL9177867 0.74 GABRA1 (0.46) SMN1; SMN2GABRA1GABRG2GABRB3LMNA
SCHEMBL7937857 0.73 GABRA1 (0.45) SMN1; SMN2GABRA1GABRG2GABRB3LMNA
Hydrochloric Acid SCHEMBL4534476 0.71 CA2 (0.36) GABRA1NLRP3CA2TSHRGABRB2
SCHEMBL9082255 0.70 SCN5A (0.46)

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
EP-0433662-A2 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-26 EP claimed