SCHEMBL9101705

SCHEMBL9101705

O=C(O)c1ccc(CCCc2ccc(O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA3 P07451 1/20 0.67
TYR P14679 1/20 0.67
DRD1 P21728 1/20 0.67
CA4 P22748 1/20 0.67
CA6 P23280 1/20 0.67
CA5A P35218 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
CA5B Q9Y2D0 1/20 0.67
RARB P10826 6/20 0.59
SRD5A2 P31213 1/20 0.59
ALDH1A1 P00352 2/20 0.56
DPP4 P27487 1/20 0.56
MEN1 O00255 1/20 0.56
RARA P10276 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL900992 0.91 CA2 (0.73) CA12CA1CA2CA3TYR
SCHEMBL133470 0.91 RARB (0.68) CA12CA1CA2CA3TYR
Paraben SCHEMBL11510587 0.87 RARB (0.78) RARBALDH1A1MEN1RARAMAPT
SCHEMBL371605 0.87 RARB (0.71) RARBSRD5A2ALDH1A1MEN1RARA
SCHEMBL1982703 0.85 HDAC8 (0.67) RARBALDH1A1MEN1RARAMAPT
SCHEMBL28873230 0.85 RARB (0.72) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9472454 0.85 RARB (0.72) RARBALDH1A1MEN1RARAMAPT
SCHEMBL30053056 0.85 RARB (0.72) RARBALDH1A1MEN1RARAMAPT
SCHEMBL15583704 0.85 RARB (0.72) RARBALDH1A1MEN1RARAMAPT
Terephthalic Acid SCHEMBL10409003 0.84 ESR1 (0.63) CA12CA1CA2CA3TYR

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
EP-0712388-A1 USE OF PHENOLS AND PHENOL DERIVATES AS MEDICAMENTS WITH FIBRINOGEN-REDUCING EFFECT Roche Diagnostics GmbH (DE) 1996-05-22 EP disclosed
WO-1995005358-A1 USE OF PHENOLS AND PHENOL DERIVATES AS MEDICAMENTS WITH FIBRINOGEN-REDUCING EFFECT BOEHRINGER MANNHEIM GMBH (DE) 1995-02-23 WO disclosed