SCHEMBL14461987

SCHEMBL14461987

CC(COc1cccc2ccccc12)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 7/20 0.56
▸ CYP1A2 P05177 4/20 0.50
▸ CYP2D6 P10635 4/20 0.50
▸ ADRB2 P07550 4/20 0.50
▸ ADRB1 P08588 4/20 0.50
▸ SIGMAR1 Q99720 4/20 0.50
▸ HTR1B P28222 4/20 0.50
▸ SLC6A4 P31645 3/20 0.50
▸ HTR2B P41595 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ ADRB3 P13945 3/20 0.50
▸ HTR2A P28223 3/20 0.50
▸ HTR2C P28335 3/20 0.50
▸ HTR6 P50406 3/20 0.50
▸ TSHR P16473 3/20 0.50
▸ SCN1A P35498 2/20 0.50
▸ SLC10A1 Q14973 2/20 0.50
▸ SCN2A Q99250 2/20 0.50
▸ SCN3A Q9NY46 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL14461594 0.86 NR2E1 (0.53) NR2E1CYP1A2CYP2D6ADRB2ADRB1
SCHEMBL14461595 0.83 NR2E1 (0.60) NR2E1CYP1A2CYP2D6ADRB2ADRB1
SCHEMBL14461988 0.82 CYP1A2 (0.50) NR2E1CYP1A2CYP2D6ADRB2ADRB1
SCHEMBL8639000 0.81 NR2E1 (0.57) NR2E1CYP1A2CYP2D6ADRB2ADRB1
SCHEMBL11226386 0.80 NR2E1 (0.71) NR2E1CYP1A2CYP2D6ADRB2ADRB1
SCHEMBL14461598 0.80 NR2E1 (0.62) NR2E1CYP1A2CYP2D6ADRB2ADRB1
SCHEMBL8644783 0.80 CYP1A2 (0.61) NR2E1CYP1A2CYP2D6ADRB2ADRB1
SCHEMBL27629 0.79 MRGPRX4 (0.67) HTR1BALDH1A1SMN1; SMN2HTR1ALMNA
SCHEMBL29568609 0.79 MRGPRX4 (0.67) HTR1BALDH1A1SMN1; SMN2HTR1ALMNA
SCHEMBL10599874 0.79 KCNA3 (0.55) NR2E1CYP1A2CYP2D6ADRB2ADRB1

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-8574814-B2 Actinic ray-sensitive or radiation-sensitive resin composition, and actinic ray-sensitive or radiation-sensitive film and pattern forming method using the composition FUJIFILM CORPORATION (JP) 2013-11-05 — — US disclosed
US-20130004888-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2013-01-03 — — US disclosed
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