SCHEMBL9779441

SCHEMBL9779441

CC(C)(C)OC(=O)CNC(C(N)=O)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
PTPRC P08575 2/20 0.37
CTSK P43235 3/20 0.35
CTSS P25774 2/20 0.35
REN P00797 1/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCR2 P41597 1/20 0.35
CTSL P07711 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4693687 0.88 CTSK (0.38) PTPRCCTSKCTSSRENTSHR
SCHEMBL4152673 0.87 TACR3 (0.40) PTPRCCTSKCTSSRENTSHR
SCHEMBL9769954 0.87 ALOX5 (0.42) ALOX5TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL9779583 0.83 ALDH1A1 (0.41) ALOX5POLBNPSR1MAPTSMN1; SMN2
SCHEMBL14217667 0.80 CTSK (0.45) ALOX5CTSKCTSSRENTSHR
SCHEMBL5027594 0.80 CTSK (0.45) ALOX5CTSKCTSSRENTSHR
Hydrochloric Acid SCHEMBL9326175 0.78 ALOX5 (0.41) ALOX5TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL9779355 0.74 CYP2C19 (0.43) ALOX5TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL11502413 0.74 ALOX5 (0.45) ALOX5CTSKCTSSTSHROPRM1
SCHEMBL2863369 0.72 CES2 (0.41) ALOX5CTSKCTSSRENCYP2D6

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-5015659-A Cognition activators to slow aging of the brain CASSELLA AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed