SCHEMBL9329997

SCHEMBL9329997

CC(C)(C)C#CC(=O)C#Cc1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.40
FFAR1 O14842 1/20 0.38
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ERN1 O75460 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX5 P09917 1/20 0.33
PTGS1 P23219 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
SCHEMBL18104962 0.86 FFAR1 (0.46) GRM5FFAR1POLBCYP2C19ERN1
SCHEMBL20089251 0.81 GRM5 (0.42) GRM5FFAR1POLBERN1ALDH1A1
SCHEMBL13879198 0.79 GRM5 (0.44) GRM5FFAR1POLBCYP1A2CYP3A4
SCHEMBL1159454 0.75 GRM5 (0.46) GRM5FFAR1POLBERN1ALDH1A1
SCHEMBL8022360 0.75 FFAR1 (0.44) GRM5FFAR1POLBERN1ALDH1A1
SCHEMBL18104850 0.74 GRM5 (0.40) GRM5FFAR1POLBERN1ALDH1A1
SCHEMBL3946468 0.73 FFAR1 (0.49) GRM5FFAR1POLBCYP2C19ERN1
SCHEMBL7590817 0.73 NPSR1 (0.50) FFAR1POLBALDH1A1NPC1RAB9A
SCHEMBL28502889 0.71 FFAR1 (0.44) GRM5FFAR1POLBCYP1A2CYP3A4
SCHEMBL7202454 0.71 MAPT (0.46) POLBALDH1A1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352802-A Derivatives of 4H-thiopyran-1,1-dioxide EASTMAN KODAK COMPANY (US) 1994-10-04 US disclosed
US-5300385-A Low voltage, high speed EASTMAN KODAK COMPANY (US) 1994-04-05 US disclosed