SCHEMBL11675083

SCHEMBL11675083

CCc1cc(O)cc(CC(C)N)c1O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.49
SLC6A2 P23975 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL11672843 0.83 GABRA1 (0.38) TAAR1HTR2ACYP1A2CYP2C9ALOX15
SCHEMBL69820 0.81 GABRA1 (0.55) CYP1A2CYP2C9ALOX15ALOX12
SCHEMBL11674071 0.81 HTR1A (0.45) TAAR1HTR1AHTR1DHTR1BHTR2A
SCHEMBL11674960 0.81 HTR2A (0.50) TAAR1HTR1AHTR1DHTR1BHTR2A
SCHEMBL11674466 0.79 PNMT (0.42) TAAR1SLC6A2HTR1AHTR1DHTR1B
SCHEMBL11674929 0.79 TAAR1 (0.37) TAAR1SLC6A2HTR1AHTR1DHTR1B
SCHEMBL14478193 0.77 TAAR1 (0.41) TAAR1SLC6A2ALOX15ALOX12
SCHEMBL11674127 0.77 HSPA5 (0.43) TAAR1SLC6A2HTR1AHTR1DHTR1B
SCHEMBL11674273 0.75 GABRA1 (0.44) CYP1A2CYP2C9ALOX15ALOX12
SCHEMBL17187961 0.74 GABRA1 (0.60) ALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4065435-A OXIDATION-REDUCTION PROPERTIES, ACRYLIC FUJI PHOTO FILM CO., LTD. (JA) 1977-12-27 US disclosed