SCHEMBL9439999

SCHEMBL9439999

O=C(C=CC1=CCC(C(=O)O)(C(=O)O)C=C1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
MAOB P27338 4/20 0.46
LMNA P02545 3/20 0.46
BCHE P06276 3/20 0.46
CYP1B1 Q16678 2/20 0.46
PLIN1 O60240 1/20 0.46
TNFRSF1A P19438 1/20 0.46
ACHE P22303 1/20 0.46
RECQL P46063 1/20 0.46
PLIN5 Q00G26 1/20 0.46
ABHD5 Q8WTS1 1/20 0.46
CYP3A4 P08684 4/20 0.42
RAB9A P51151 3/20 0.42
HSPD1 P10809 2/20 0.42
HSPE1 P61604 2/20 0.42
KMT2A Q03164 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL10425121 0.84 MAPT (0.47) MAPTMAOBLMNABCHECYP1B1
SCHEMBL8845821 0.83 MAPT (0.46) MAPTMAOBLMNABCHECYP1B1
SCHEMBL30892666 0.83 CYP1B1 (0.50) MAPTMAOBLMNABCHECYP1B1
SCHEMBL27790759 0.82 MAPT (0.45) MAPTMAOBLMNABCHECYP1B1
SCHEMBL27578316 0.82 MAPT (0.49) MAPTMAOBLMNABCHECYP1B1
SCHEMBL27549569 0.82 MAPT (0.45) MAPTMAOBLMNABCHECYP1B1
SCHEMBL27447417 0.81 HDAC1 (0.38) MAPTMAOBLMNABCHECYP1B1
SCHEMBL809497 0.81 HDAC1 (0.38) MAPTMAOBLMNABCHECYP1B1
SCHEMBL28806095 0.81 MAPT (0.47) MAPTMAOBLMNABCHECYP1B1
SCHEMBL1470132 0.81 RECQL (0.45) MAPTMAOBLMNABCHECYP1B1

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-5364912-A Anisotropic melts, reaction of glycidyl ester of dicarboxylic acid and diol or dicarboxylic acid THE DOW CHEMICAL COMPANY (US) 1994-11-15 US disclosed