SCHEMBL6433955

SCHEMBL6433955

CC(=O)NC1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.45
DRD2 P14416 6/20 0.40
DRD3 P35462 6/20 0.40
HTR2A P28223 5/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
PAX8 Q06710 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37

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
SCHEMBL6436604 0.83 ALDH1A1 (0.41) TYRCA12CA1CA2CA7
SCHEMBL6804810 0.80 MEN1 (0.52) TYRDRD2DRD3HTR2ASMYD3
SCHEMBL6804807 0.80 MEN1 (0.52) TYRDRD2DRD3HTR2ASMYD3
SCHEMBL19249421 0.80 TYR (0.48) TYR
SCHEMBL6437510 0.79 TYR (0.41) TYRTAS1R3TAS1R1TAS1R2
SCHEMBL6804254 0.78 RAB9A (0.56) TYRDRD2DRD3
SCHEMBL6799332 0.78 RAB9A (0.56) TYRDRD2DRD3
SCHEMBL6799335 0.78 RAB9A (0.56) TYRDRD2DRD3
SCHEMBL6797691 0.78 HTR2A (0.39) TYRDRD2DRD3HTR2ACA1
SCHEMBL6433594 0.78 HTR2A (0.39) TYRDRD2DRD3HTR2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2000056702-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2000-09-28 WO disclosed