SCHEMBL9308792

SCHEMBL9308792

O=C(C=Cc1ccccc1)OC1C=Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
KMT2A Q03164 6/20 0.42
MAPT P10636 6/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
PLIN1 O60240 2/20 0.42
RECQL P46063 2/20 0.42
PLIN5 Q00G26 2/20 0.42
ABHD5 Q8WTS1 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TNKS O95271 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42

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
SCHEMBL29059172 0.88 POLB (0.37) LMNAMAPTALDH1A1HCAR2CYP2D6
SCHEMBL50555 0.88 POLB (0.37) LMNAMAPTALDH1A1HCAR2CYP2D6
SCHEMBL27902025 0.82 POLB (0.34) LMNAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL27926854 0.81 HCAR2 (0.38) LMNAKMT2AMAPTALDH1A1HCAR2
SCHEMBL30931450 0.78 POLB (0.38) LMNAKMT2AHDAC4ALDH1A1CYP2D6
SCHEMBL6700611 0.76 POLB (0.39) LMNAKMT2AMAPTHDAC3HDAC4
SCHEMBL23707006 0.74 MAPT (0.57) LMNAKMT2AMAPTHDAC3HDAC4
SCHEMBL89374 0.73 POLB (0.49) LMNAKMT2AMAPTALDH1A1CYP2D6
SCHEMBL8694188 0.73 POLB (0.49) LMNAKMT2AMAPTALDH1A1CYP2D6
SCHEMBL27926152 0.73 ALDH1A1 (0.38) LMNAKMT2AMAPTALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5290817-A Antiinflammatory, antiallergenic agents THE DU PONT MERCK PHARMACEUTICAL CO. (US) 1994-03-01 US disclosed
US-4167640-A 5-Fluoro-2-methyl-ind-1-ene-3-acetic acid MERCK & CO., INC. (US) 1979-09-11 US disclosed
US-4123457-A 2-Methyl-5-fluoro-indanol-3-acetic acid MERCK & CO., INC. (US) 1978-10-31 US disclosed
US-3998875-A PROCESS OF PREPARING 5-FLUORO-2-METHYL-1-(PARAMETHYLSULFINYLBENZYLIDENE)-INDENYL-3-ACETIC ACID MERCK & CO., INC. (US) 1976-12-21 US disclosed