SCHEMBL7387757

SCHEMBL7387757

CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1CSC(C)(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
CCR2 P41597 9/20 0.41
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN9A Q15858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 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
SCHEMBL7662887 0.90 RXFP1 (0.44) RXFP1PPARAPPARGCCR2HTT
SCHEMBL7667429 0.85 ALDH1A1 (0.47) RXFP1PPARAPPARGCCR2HTT
SCHEMBL7379048 0.82 RXFP1 (0.43) RXFP1PPARAPPARGCCR2HTT
SCHEMBL7379044 0.82 RXFP1 (0.43) RXFP1PPARAPPARGCCR2HTT
SCHEMBL7673407 0.82 RXFP1 (0.43) RXFP1PPARAPPARGCCR2HTT
SCHEMBL14612487 0.82 RXFP1 (0.45) RXFP1PPARAPPARGCCR2HTT
SCHEMBL7383691 0.82 RXFP1 (0.45) RXFP1PPARAPPARGCCR2HTT
SCHEMBL4050662 0.82 RXFP1 (0.51) RXFP1CCR2HTTMEN1MAPT
SCHEMBL7669028 0.81 RXFP1 (0.50) RXFP1CCR2HTTMEN1MAPT
SCHEMBL7378941 0.78 RXFP1 (0.40) RXFP1PPARAPPARGCCR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000067-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-10-23 EP disclosed
EP-1000067-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 2000-05-17 EP disclosed
WO-1999005147-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1999-02-04 WO disclosed