SCHEMBL9680739

SCHEMBL9680739

O=C(CCc1ccc(-c2ccc(Br)cc2)cc1)CCc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 1/20 0.55
▸ FFAR1 O14842 3/20 0.52
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ FFAR4 Q5NUL3 2/20 0.49
▸ CNR2 P34972 1/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ HTR2A P28223 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ F2RL1 P55085 1/20 0.43
▸ IDO1 P14902 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
SCHEMBL4484073 0.94 FFAR1 (0.53) MMP12FFAR1FFAR4PDPK1HTR2A
Hydrochloric Acid SCHEMBL27881428 0.91 FFAR1 (0.51) MMP12FFAR1FFAR4PDPK1HTR2A
SCHEMBL9680228 0.88 PLAAT3 (0.49) MMP12FFAR1HDAC2HDAC8FFAR4
SCHEMBL9680292 0.86 HDAC2 (0.54) FFAR1HDAC2HDAC8
SCHEMBL12144575 0.86 FFAR1 (0.59) MMP12FFAR1HDAC2HDAC8FFAR4
SCHEMBL25907921 0.84 FFAR1 (0.46) MMP12FFAR1FFAR4PDPK1HTR2A
SCHEMBL11217816 0.84 CNR1 (0.54) FFAR1HDAC2HDAC8FFAR4POLB
SCHEMBL13286340 0.84 TDP1 (0.59) FFAR1FFAR4POLB
SCHEMBL9709577 0.84 IAPP (0.59) FFAR1HDAC2HDAC8FFAR4PDPK1
SCHEMBL410494 0.83 FFAR1 (0.49) MMP12FFAR1FFAR4PDPK1HTR2A

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-5136013-A Polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 — — US disclosed
US-5068300-A BIFUNCTIONAL STILBENE COMPOUNDS CONTAINING AT LEAST ONE Z-CONFIGURATED STILBENE GROUP, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 — — US disclosed
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