SCHEMBL9726825

SCHEMBL9726825

Cc1ccc(C(=Cc2nnnn2C)c2ccc(C)cc2C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
NFKB1 P19838 1/20 0.32
HTT P42858 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9726515 0.86 ESR1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9726750 0.86 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL9726395 0.74 SRC (0.34) ALDH1A1SMN1; SMN2
SCHEMBL9799379 0.72 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL9799375 0.72 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL8846423 0.71 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAB9ATP53LMNA
SCHEMBL9726817 0.70 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL9727011 0.69 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9AHPGDTDP1
SCHEMBL9726766 0.67 PTGS2 (0.44) ALDH1A1SMN1; SMN2RAB9AHPGDTDP1
SCHEMBL9726776 0.67 PTGS2 (0.44) ALDH1A1SMN1; SMN2RAB9AHPGDTDP1

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