SCHEMBL9499271

SCHEMBL9499271

CCC(OC(=O)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.53
UTS2R Q9UKP6 2/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ALDH1A1 P00352 4/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
SLC6A9 P48067 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
UBE2N P61088 1/20 0.43

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
SCHEMBL22416005 0.96 PDCD1 (0.53) NPSR1UTS2RNPC1RAB9AESR1
SCHEMBL803259 0.96 PDCD1 (0.53) NPSR1UTS2RNPC1RAB9AESR1
SCHEMBL6667515 0.94 ESR1 (0.53) NPSR1UTS2RNPC1RAB9AESR1
SCHEMBL3817682 0.90 TSHR (0.52) NPSR1UTS2RNPC1RAB9AESR1
SCHEMBL17231351 0.88 NPSR1 (0.50) NPSR1UTS2RNPC1RAB9AESR1
SCHEMBL1129618 0.88 ESR1 (0.64) NPSR1UTS2RNPC1RAB9AESR1
SCHEMBL21396286 0.88 PDCD1 (0.61) NPSR1UTS2RNPC1RAB9AESR1
SCHEMBL9500077 0.88 ALDH1A1 (0.55) NPSR1UTS2RNPC1RAB9AESR1
SCHEMBL18464124 0.88 PDCD1 (0.61) NPSR1UTS2RNPC1RAB9AESR1
SCHEMBL9498568 0.86 ALDH1A1 (0.49) NPSR1UTS2RNPC1RAB9AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354655-B1 1-PHENYL-1-PROPANOL DERIVATIVES CHISSO CORPORATION (JP) 1993-04-07 EP disclosed
US-5076947-A Optically active; free from temperature dependence CHISSO CORPORATION (JP) 1991-12-31 US disclosed
EP-0354655-A2 1-Phenyl-1-propanol derivatives CHISSO CORPORATION (JP) 1990-02-14 EP disclosed