SCHEMBL7378697

SCHEMBL7378697

COC(=O)C(=Cc1ccccc1F)C(C)=O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
HIF1A Q16665 1/20 0.63
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAOB P27338 1/20 0.41
TRPA1 O75762 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MEN1 O00255 1/20 0.40
PLIN1 O60240 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
PLIN5 Q00G26 1/20 0.40

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
SCHEMBL7378695 1.00 CYP1A2 (0.63) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL7325213 0.83 CYP1A2 (0.58) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL7325219 0.83 CYP1A2 (0.58) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL7242738 0.83 CYP1A2 (0.55) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL7242741 0.83 CYP1A2 (0.55) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL7384130 0.82 MAPT (0.53) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL7384129 0.82 MAPT (0.53) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL8324244 0.81 CYP1A2 (0.73) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL6954090 0.81 MAPT (0.51) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL3194980 0.81 MAPT (0.55) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859244-A EXHIBIT VASODILATING ACTIVITY BASED ON CALCIUM ANTAGONISM AND PLATELET-ACTIVATING FACTOR ANTAGONISM FUJIREBIO, INC. (JP) 1999-01-12 US disclosed
US-5763614-A VASODILATION BASED ON CALCIUM ANTAGONISM AND PAF ANTAGONISM FUJIREBIO INC. (JP) 1998-06-09 US disclosed
US-5696268-A REACTING N-ACYLAMINO ACID DERIVATIVE WITH OPTICALLY ACTIVE ENAMINE DERIVATIVE, REACTING PRODUCT WITH AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-12-09 US disclosed
US-5644059-A REACTION OF KETONE WITH ACRYLAMIDE AND AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-07-01 US disclosed
US-5367081-A Vasodilator, antiallergen FUJIREBIO INC. (JP) 1994-11-22 US disclosed
EP-0488345-A1 1,4-Dihydropyridine derivatives and methods of producing the same FUJIREBIO INC. (JP) 1992-06-03 EP disclosed
US-4621082-A Pyridopyrimidines, pharmaceutical compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
US-4136187-A CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DE) 1979-01-23 US disclosed
US-4053614-A 1,2-PENTAMETHYLENE-1,4-DIHYDROPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 US disclosed
US-4024261-A HYPERTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-3971791-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3971790-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3959292-A HYPOTENSIVE AGENTS, CORONARY DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed
US-3951994-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3951988-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3948923-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed
US-3946026-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3939171-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed
US-3935223-A 2-Amino-1,4-dihydropyridine derivatives BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed
US-3935220-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed