SCHEMBL6437510

SCHEMBL6437510

ONC1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.41
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34

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
SCHEMBL19249421 0.87 TYR (0.48) TYRCHRNB2CHRNA4CYP1A2CYP3A4
SCHEMBL6434416 0.80 CHRNB2 (0.39) TYRCHRNB2CHRNA4TAS1R3TAS1R1
SCHEMBL6433192 0.80 TYR (0.41) TYRCHRNB2CHRNA4CYP1A2CYP3A4
SCHEMBL6433194 0.80 TYR (0.41) TYRCHRNB2CHRNA4CYP1A2CYP3A4
SCHEMBL6437210 0.79 ESR2 (0.53) TYRCHRNB2CHRNA4CYP1A2CYP3A4
SCHEMBL3164917 0.79 ESR2 (0.53) TYRCHRNB2CHRNA4CYP1A2CYP3A4
SCHEMBL6433955 0.79 TYR (0.45) TYRTAS1R3TAS1R1TAS1R2
SCHEMBL3162433 0.79 ALDH1A1 (0.43) TYRCHRNB2CHRNA4CYP1A2CYP3A4
SCHEMBL29871375 0.79 ALDH1A1 (0.43) TYRCHRNB2CHRNA4CYP1A2CYP3A4
SCHEMBL6434521 0.78 ESR2 (0.57) CYP3A4CYP2D6CYP2C9HDAC2ESR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP claimed
EP-1165495-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2002-01-02 EP claimed
WO-2000056702-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2000-09-28 WO claimed
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP disclosed
EP-1165495-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2002-01-02 EP disclosed
EP-1134207-A1 Process for preparing resorcinol derivatives Pfizer Products Inc. (US) 2001-09-19 EP disclosed
WO-2000056702-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2000-09-28 WO disclosed