SCHEMBL11262500

SCHEMBL11262500

NC(=O)CCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.63
HDAC2 Q92769 5/20 0.60
HDAC1 Q13547 6/20 0.58
HDAC3 O15379 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC5 Q9UQL6 3/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57
SLC6A3 Q01959 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MMP12 P39900 2/20 0.56
MGLL Q99685 2/20 0.52
ABCC4 O15439 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL27396759 0.94 HDAC2 (0.68) FFAR1HDAC2HDAC1HDAC3HDAC8
SCHEMBL5801662 0.90 FFAR1 (0.71) FFAR1HDAC2HDAC1MMP12ABCC4
SCHEMBL5020709 0.88 HDAC1 (0.67) FFAR1HDAC2HDAC1HDAC3HDAC8
SCHEMBL7859 0.88 HDAC1 (0.72) FFAR1HDAC2HDAC1HDAC3HDAC8
SCHEMBL1651413 0.86 FFAR1 (0.78) FFAR1HDAC2HDAC1HDAC3HDAC8
Hydrochloric Acid SCHEMBL23062929 0.86 HDAC1 (0.69) FFAR1HDAC2HDAC1HDAC3HDAC8
Hydrochloric Acid SCHEMBL30882401 0.86 HDAC1 (0.69) FFAR1HDAC2HDAC1HDAC3HDAC8
Hydrochloric Acid SCHEMBL30882658 0.86 HDAC1 (0.69) FFAR1HDAC2HDAC1HDAC3HDAC8
Water SCHEMBL28210512 0.86 HDAC1 (0.69) FFAR1HDAC2HDAC1HDAC3HDAC8
Biphenyl SCHEMBL27839781 0.83 LTB4R (0.53) FFAR1HDAC2HDAC1HDAC3HDAC8

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-4347373-A Derivatives of 4-methyl-5-[(2-aminoethyl)-thiomethyl]-imidazole TURCONI FRANCO 1982-08-31 US claimed
US-4055664-A ANTIINFLAMMATORY, ANTIPYRETIC, ANALGESIC ARMOUR PHARMACEUTICAL COMPANY (US) 1977-10-25 US disclosed