SCHEMBL9726429

SCHEMBL9726429

CCOC(=O)C(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnnn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.48
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CASP3 P42574 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ELANE P08246 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL9726594 0.87 KDM4E (0.40) HMGCRMAPTMEN1KMT2ALMNA
SCHEMBL9726414 0.86 HMGCR (0.40) HMGCRMAPTMEN1KMT2ALMNA
SCHEMBL9726661 0.82 HMGCR (0.47) HMGCRUSP2HSD17B10SMN1; SMN2RAB9A
SCHEMBL10386594 0.81 HMGCR (0.47) HMGCRUSP2HSD17B10SMN1; SMN2RAB9A
SCHEMBL9726819 0.79 MAPT (0.41) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL9726441 0.75 SMN1; SMN2 (0.43) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL4681920 0.74 HMGCR (0.46) HMGCRMAPTLMNANPSR1KDM4E
SCHEMBL9726595 0.74 KMT2A (0.41) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL9769861 0.74 HMGCR (0.45) HMGCRMAPTMEN1KMT2ALMNA
SCHEMBL9726533 0.74 HMGCR (0.55) HMGCRLMNAUSP2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4898949-A Intermediates for the preparation of antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1990-02-06 US claimed
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-4939265-A Intermediates and process for the preparation of antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1990-07-03 US disclosed
US-4898949-A Intermediates for the preparation of antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1990-02-06 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