SCHEMBL5535660

SCHEMBL5535660

O=C(C(=O)c1cc(C#Cc2ccccc2)cc(C#Cc2ccccc2)c1)c1ccc(Oc2c(C#Cc3ccccc3)cc(C#Cc3ccccc3)cc2C#Cc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.40
▸ CES2 O00748 3/20 0.40
▸ CES1 P23141 2/20 0.40
▸ HAO1 Q9UJM8 7/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ PARP10 Q53GL7 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ PTPRC P08575 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.35

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
SCHEMBL5533189 0.87 FFAR1 (0.49) FFAR1CES2CES1HAO1PARP10
SCHEMBL4192928 0.80 CTNNB1 (0.43) FFAR1CES2CES1HAO1NPC1
SCHEMBL13567255 0.79 FFAR1 (0.56) FFAR1CES2CES1HAO1PARP10
SCHEMBL14584313 0.79 FFAR1 (0.56) FFAR1CES2CES1HAO1PARP10
SCHEMBL13567253 0.79 FFAR1 (0.56) FFAR1CES2CES1HAO1PARP10
SCHEMBL4848452 0.79 CES2 (0.56) FFAR1CES2CES1NPC1RAB9A
SCHEMBL4196818 0.77 CES2 (0.52) FFAR1CES2CES1
SCHEMBL11127634 0.76 FFAR1 (0.49) FFAR1CES2CES1HAO1PARP10
SCHEMBL10732308 0.74 AKR1C3 (0.54) FFAR1CES2CES1HAO1PARP10
SCHEMBL5669441 0.74 SRD5A2 (0.57) FFAR1HAO1PARP10SRD5A2PKM

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-20070027280-A1 Multifunctional substituted monomers and polyarylene compositions therefrom HAHNFELD JERRY L 2007-02-01 — — US disclosed
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