SCHEMBL9655945

SCHEMBL9655945

Nc1ccc(CCCC(=O)O)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL9657521 0.95 FFAR1 (0.44) FFAR1MAPTALDH1A1TBXAS1RXFP1
SCHEMBL7996551 0.89 FFAR1 (0.55) FFAR1MAPTALDH1A1CYP2C19P4HTM
SCHEMBL9655979 0.81 MIF (0.44) MAPTALDH1A1SMN1; SMN2HSD17B10GAA
SCHEMBL11656517 0.81 HDAC3 (0.53) FFAR1MAPTALDH1A1SMN1; SMN2HDAC3
SCHEMBL15270538 0.79 TSHR (0.50) FFAR1ALDH1A1SMN1; SMN2HDAC3MAPK1
SCHEMBL3931024 0.79 RXRA (0.46) FFAR1ALDH1A1SMN1; SMN2HDAC3MAPK1
SCHEMBL7206139 0.79 SMN1; SMN2 (0.47) FFAR1MAPTSMN1; SMN2HDAC3MAPK1
SCHEMBL3937280 0.79 FFAR1 (0.45) FFAR1SMN1; SMN2HDAC3MAPK1ADRA1A
SCHEMBL22557435 0.79 FFAR1 (0.41) FFAR1ALDH1A1SMN1; SMN2HDAC1HDAC6
SCHEMBL1626164 0.78 GABRA5 (0.47) FFAR1MAPTCYP1A2CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287270-B1 BIOLOGICALLY ACTIVE COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-12-30 EP disclosed
US-4902698-A Benzenesulphonamidopyridyl compounds which are useful as thromboxane A.sub.2 SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-02-20 US disclosed
EP-0287270-A1 Biologically active compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-10-19 EP disclosed