SCHEMBL13615615

SCHEMBL13615615

Cc1ccc(C(c2ccc(O)cc2)C(C)c2ccc(O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
ESR1 P03372 9/20 0.50
ESR2 Q92731 9/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
MAPT P10636 2/20 0.40
ALOX15 P16050 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
AR P10275 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL1697224 0.91 ESR1 (0.59) ACHEESR1ESR2PDCD1CD274
SCHEMBL735987 0.86 ACHE (0.68) ACHEESR1ESR2PDCD1CD274
SCHEMBL20763933 0.86 ACHE (0.68) ACHEESR1ESR2PDCD1CD274
SCHEMBL16504113 0.84 ACHE (0.59) ACHEESR1ESR2PDCD1CD274
SCHEMBL9252322 0.84 ESR1 (0.52) ESR1ESR2PDCD1CD274MAPT
SCHEMBL11072368 0.83 ESR1 (0.50) ESR1ESR2PDCD1CD274MAPT
SCHEMBL822908 0.79 ESR1 (0.80) ACHEESR1ESR2PDCD1CD274
SCHEMBL13308480 0.78 CHRNA7 (0.41) ACHEMAPTCYP2C19TDP1MEN1
SCHEMBL30753092 0.78 ESR1 (0.68) ACHEESR1ESR2PDCD1CD274
SCHEMBL11949347 0.78 ESR1 (0.68) ACHEESR1ESR2PDCD1CD274

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
US-20090278073-A1 POLYMERIC MEA FOR FUEL CELL HYUNDAI MOTOR COMPANY (KR) 2009-11-12 US disclosed
US-20090278073-A1 POLYMERIC MEA FOR FUEL CELL HYUNDAI MOTOR COMPANY (KR) 2009-11-12 US disclosed