SCHEMBL8689693

SCHEMBL8689693

CCc1cccc(C(C)C)c1NC(=S)N(CC)C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SOAT1 P35610 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NLRP3 Q96P20 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
SCHEMBL8690226 0.86 ALDH1A1 (0.49) HTTLMNAALOX15TDP1KMT2A
SCHEMBL8582040 0.82 HTT (0.43) HTTLMNAALOX15TSHRCYP2C19
SCHEMBL8684829 0.81 ABCC1 (0.46) KMT2AKDM4ENLRP3
SCHEMBL8686241 0.81 POLB (0.49) LMNAALOX15CYP2C19KMT2AMEN1
SCHEMBL8689690 0.79 NLRP3 (0.42) HTTLMNAKMT2ASMN1; SMN2SOAT1
SCHEMBL8686284 0.76 GAA (0.46) LMNAKDM4E
SCHEMBL5538230 0.74 HTT (0.50) HTTLMNATDP1KMT2ASMN1; SMN2
SCHEMBL13925886 0.74 SMN1; SMN2 (0.53) HTTLMNATDP1KMT2ASMN1; SMN2
SCHEMBL25197276 0.73 HTT (0.62) HTTLMNATDP1KMT2ASMN1; SMN2
SCHEMBL5533057 0.73 SMN1; SMN2 (0.51) HTTLMNATDP1KMT2ASMN1; SMN2

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-5807864-A INCREASING HIGH DENSITY LIPOPROTEIN LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-09-15 — — US disclosed
Send feedback