SCHEMBL7704524

SCHEMBL7704524

O=C(CCCCCCc1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.69
HDAC1 Q13547 4/20 0.65
HDAC2 Q92769 4/20 0.65
HDAC8 Q9BY41 3/20 0.65
TDP1 Q9NUW8 2/20 0.64
RAB9A P51151 2/20 0.64
NPC1 O15118 1/20 0.64
CASP3 P42574 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
L3MBTL1 Q9Y468 3/20 0.61
MAPT P10636 3/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
FFAR1 O14842 2/20 0.59
CYP1A2 P05177 1/20 0.59
HIF1A Q16665 1/20 0.59
HPGD P15428 1/20 0.57
MGLL Q99685 1/20 0.57

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
SCHEMBL27463271 0.88 DPP4 (0.81) DPP4HDAC1HDAC2HDAC8TDP1
SCHEMBL8478411 0.88 DPP4 (0.66) DPP4HDAC1HDAC2HDAC8TDP1
SCHEMBL24599291 0.86 FFAR1 (0.69) DPP4HDAC1HDAC8TDP1RAB9A
SCHEMBL8559822 0.86 TDP1 (0.85) DPP4HDAC1HDAC2HDAC8TDP1
SCHEMBL7426101 0.86 TDP1 (0.85) DPP4HDAC1HDAC2HDAC8TDP1
SCHEMBL9242650 0.86 TDP1 (0.85) DPP4HDAC1HDAC2HDAC8TDP1
SCHEMBL8894978 0.85 MAPT (0.74) DPP4HDAC1HDAC2HDAC8TDP1
SCHEMBL9138023 0.85 THRA (0.72) MAPTRARBMEN1ALDH1A1RARA
SCHEMBL3381623 0.84 HDAC8 (0.79) HDAC1HDAC2HDAC8TDP1RAB9A
SCHEMBL11692787 0.84 MAPT (0.79) HDAC1HDAC2HDAC8MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6353139-B1 HIGHLY EFFICIENT CATALYST SYSTEM OF A TRANSITION METAL COMPOUND, A 2-AMINOPYRIDINE, A PRIMARY AMINE, AND AN ACID; HYDROACYLATION USING AN ALIPHATIC OR AN AROMATIC ALDEHYDE WITH A VINYL OLEFIN HAVING AN ALIPHATIC OR AROMATIC ALKYL MOIETY Jun, Chul Ho (KR) 2002-03-05 US disclosed