SCHEMBL9490184

SCHEMBL9490184

O=C(O)C1(OCCCCCCCCCCCCCCCCO)C=CC(c2ccccc2)=CC1

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
HIF1A Q16665 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30

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
SCHEMBL9487291 1.00 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27833048 1.00 HDAC3 (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8746286 0.95 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9462289 0.89 CHRM2 (0.39)
SCHEMBL4182082 0.89 CHRM2 (0.39)
SCHEMBL11363524 0.89 CHRM2 (0.39)
SCHEMBL5828435 0.89 CHRM2 (0.39)
SCHEMBL4186206 0.89 CHRM2 (0.39)
SCHEMBL4184937 0.89 CHRM2 (0.39)
Hydrochloric Acid SCHEMBL9842607 0.88 CHRM2 (0.38)

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
EP-0228703-B1 FERROELECTRIC LIQUID CRYSTAL POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-03-10 EP disclosed