SCHEMBL9779502

SCHEMBL9779502

O=C(/C=C/c1cccc(F)c1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.68
MAPT P10636 3/20 0.68
BCHE P06276 2/20 0.68
CYP1B1 Q16678 2/20 0.68
PLIN1 O60240 1/20 0.68
LMNA P02545 1/20 0.68
TNFRSF1A P19438 1/20 0.68
ACHE P22303 1/20 0.68
RECQL P46063 1/20 0.68
PLIN5 Q00G26 1/20 0.68
ABHD5 Q8WTS1 1/20 0.68
HDAC3 O15379 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63

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
SCHEMBL8878387 1.00 MAOB (0.68) MAOBMAPTBCHECYP1B1PLIN1
SCHEMBL31326023 1.00 MAOB (0.68) MAOBMAPTBCHECYP1B1PLIN1
SCHEMBL3836785 0.92 RELA (0.68) MAOBMAPTBCHECYP1B1PLIN1
SCHEMBL3836781 0.92 RELA (0.68) MAOBMAPTBCHECYP1B1PLIN1
SCHEMBL8987205 0.90 MAOB (0.68) MAOBMAPTBCHECYP1B1PLIN1
SCHEMBL15155094 0.90 TNFRSF1A (0.69) MAOBMAPTCYP1B1TNFRSF1ARELA
SCHEMBL15155095 0.90 TNFRSF1A (0.69) MAOBMAPTCYP1B1TNFRSF1ARELA
SCHEMBL8987207 0.90 MAOB (0.68) MAOBMAPTBCHECYP1B1PLIN1
SCHEMBL13203402 0.88 MAOB (0.81) MAOBMAPTBCHECYP1B1PLIN1
SCHEMBL28110416 0.88 MAOB (0.81) MAOBMAPTBCHECYP1B1PLIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037824-A Cardiotonic, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-08-06 US disclosed
EP-0387070-A2 N-Containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-12 EP disclosed