SCHEMBL7384129

SCHEMBL7384129

COC(=O)/C(=C\c1ccccc1C)C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PLIN1 O60240 1/20 0.44
POLB P06746 1/20 0.44
PLIN5 Q00G26 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7384130 1.00 MAPT (0.53) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL15913856 0.91 MAPT (0.61) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL29489366 0.91 MAPT (0.61) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL689564 0.87 MAPT (0.53) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL11550271 0.86 ALDH1A1 (0.50) MAPTLMNAMEN1KMT2APLIN1
SCHEMBL7273337 0.84 MAPT (0.60) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL10847138 0.84 MAPT (0.60) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL29180060 0.83 MAPT (0.44) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL11551676 0.83 MAPT (0.52) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL10668624 0.83 CYP1A2 (0.39) MAPTNPSR1LMNAMEN1KMT2A

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 6 patents. 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