SCHEMBL9726573

SCHEMBL9726573

Cc1cc(C)c(C(=O)c2ccc(F)cc2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
LMNA P02545 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 2/20 0.57
MEN1 O00255 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MCOLN3 Q8TDD5 1/20 0.57
FFAR4 Q5NUL3 1/20 0.47
LTA4H P09960 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
F2 P00734 1/20 0.44
PLAU P00749 1/20 0.44
ELANE P08246 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL28274214 0.89 KMT2A (0.67) KMT2ALMNASMN1; SMN2HPGDMEN1
SCHEMBL28242772 0.87 KMT2A (0.65) KMT2ALMNASMN1; SMN2HPGDMEN1
SCHEMBL9856924 0.85 ALDH1A1 (0.65) KMT2ALMNASMN1; SMN2HPGDMEN1
SCHEMBL10710712 0.85 SMN1; SMN2 (0.54) KMT2ALMNASMN1; SMN2HPGDMEN1
SCHEMBL6096428 0.82 KDM4E (0.49) KMT2ALMNASMN1; SMN2MEN1LTA4H
SCHEMBL10988695 0.82 SRD5A2 (0.63) KMT2ALMNASMN1; SMN2HPGDMEN1
SCHEMBL1584825 0.81 F2 (0.59) KMT2ALMNASMN1; SMN2LTA4HALDH1A1
SCHEMBL10357783 0.80 PTGS1 (0.45) KMT2ALMNASMN1; SMN2HPGDMEN1
SCHEMBL7264522 0.80 HPGD (0.57) KMT2ALMNASMN1; SMN2HPGDMEN1
SCHEMBL10758410 0.79 CES2 (0.55) KMT2ALMNASMN1; SMN2HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110940-A Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase BRISTOL-MYERS COMPANY (US) 1992-05-05 US disclosed
US-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed
US-4897490-A DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE BRISTOL-MEYERS COMPANY (US) 1990-01-30 US disclosed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed