SCHEMBL7300076

SCHEMBL7300076

CC1(C)C[CH]c2cc(C(F)(F)F)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
BACE1 P56817 3/20 0.33
CTSD P07339 2/20 0.33
TRPV1 Q8NER1 4/20 0.32
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
DAO P14920 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
TERT O14746 1/20 0.30

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
SCHEMBL9583946 0.87 DAO (0.33) BACE1CTSDTRPV1TP53LMNA
SCHEMBL7294955 0.78 HTR2C (0.42) TP53
SCHEMBL7301080 0.77 PTGS1 (0.39) PTGS1PTGS2BACE1CTSDTRPV1
SCHEMBL7293466 0.76 KDM4E (0.34) TP53CA12CA9
SCHEMBL7134096 0.75 MAPT (0.49) PTGS1PTGS2TP53LMNAOPRM1
SCHEMBL2350567 0.75 BACE1 (0.36) BACE1CTSDLMNACA12CA9
SCHEMBL7294557 0.75 HTR2C (0.42) BACE1CTSDCA12CA9
SCHEMBL2351278 0.72 HPGD (0.32) PTGS1LMNA
SCHEMBL7766906 0.72 ALDH1A1 (0.42) PTGS1PTGS2TP53CA12CA9
SCHEMBL7292949 0.71 ABCB1 (0.40) LMNACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5260444-A Cardiovascular, hypotensive WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
US-5208245-A Hypotensive agents WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-05-04 US disclosed
EP-0460418-A2 Novel Dihydropyridine derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed