SCHEMBL11624922

SCHEMBL11624922

CCCCCC(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 7/20 0.64
▸ HTR7 P34969 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ MMP2 P08253 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP8 P22894 1/20 0.51
▸ STS P08842 4/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ S1PR5 Q9H228 1/20 0.49
▸ GSK3B P49841 1/20 0.48
▸ HRH2 P25021 1/20 0.48
▸ HRH1 P35367 1/20 0.48

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
SCHEMBL11622855 0.95 HSD17B3 (0.62) HSD17B3HTR7HPGDSMN1; SMN2L3MBTL1
SCHEMBL1356013 0.95 HSD17B3 (0.70) HSD17B3HTR7KDM4EALDH1A1POLB
SCHEMBL7905138 0.93 HSD17B3 (0.71) HSD17B3HTR7L3MBTL1KDM4EALDH1A1
SCHEMBL10832302 0.93 HSD17B3 (0.71) HSD17B3HTR7L3MBTL1KDM4EALDH1A1
SCHEMBL31186967 0.93 HSD17B3 (0.71) HSD17B3HTR7L3MBTL1KDM4EALDH1A1
SCHEMBL1356249 0.89 HSD17B3 (0.69) HSD17B3HTR7HPGDL3MBTL1ALDH1A1
SCHEMBL19757465 0.88 HSD17B3 (0.65) HSD17B3HTR7KDM4EALDH1A1POLB
SCHEMBL11621590 0.87 SMN1; SMN2 (0.70) HSD17B3HPGDSMN1; SMN2L3MBTL1MMP2
SCHEMBL19757432 0.85 HSD17B3 (0.61) HSD17B3HTR7STSS1PR5
SCHEMBL28750319 0.85 MMP1 (0.60) HSD17B3HTR7L3MBTL1STSMEN1

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-4125612-A N-1-(p-Biphenylalkyl)piperazines and their use as anti-inflammatory agents SCHERING CORPORATION (US) 1978-11-14 — — US disclosed
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