SCHEMBL9567286

SCHEMBL9567286

CCCCCCC(C(=O)OCC)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MME P08473 1/20 0.39
CTSK P43235 1/20 0.39
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
HDAC3 O15379 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL9000645 0.89 ZDHHC7 (0.45) HDAC1HDAC11HDAC8HDAC6PRSS1
SCHEMBL29198051 0.88 POLB (0.42) MMETSHRALDH1A1TDP1POLB
SCHEMBL9093734 0.84 HDAC1 (0.43) HDAC1HDAC11HDAC8HDAC6TSHR
SCHEMBL9000597 0.84 HDAC1 (0.43) HDAC1HDAC11HDAC8HDAC6TSHR
SCHEMBL10548054 0.83 MME (0.47) MMEALDH1A1LMNATDP1POLB
SCHEMBL27739431 0.81 TSHR (0.47) HDAC1HDAC11HDAC8HDAC6TSHR
SCHEMBL27714055 0.80 TP53 (0.39) CTSKTSHRL3MBTL1ALDH1A1LMNA
SCHEMBL28170178 0.78 HTT (0.45) HDAC1HDAC11HDAC8HDAC6CTSK
SCHEMBL29636391 0.77 MME (0.40) MMEALDH1A1
SCHEMBL4886826 0.77 MMP8 (0.48) PRSS1PRSS2PRSS3TSHRALDH1A1

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
CN-1086996-A Cosmetic composition UNILEVER NV (NL) 1994-05-25 CN disclosed
EP-0576287-A1 Cosmetic compositions UNILEVER PLC (GB) 1993-12-29 EP disclosed