SCHEMBL16328554

SCHEMBL16328554

O=[SH](=O)C(F)(F)C(F)(F)OCc1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
HTR4 Q13639 1/20 0.38
RORC P51449 1/20 0.38
PTPN1 P18031 2/20 0.37
KCNH2 Q12809 2/20 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
SCHEMBL10267882 0.80 CYP1A2 (0.43) RAB9ACYP1A2CYP2A6SLC1A3SLC1A2
Lithium Ion SCHEMBL3317101 0.79 RAB9A (0.42) RAB9ACYP1A2CYP2A6SLC1A3SLC1A2
SCHEMBL18103422 0.79 CYP1A2 (0.48) RAB9ACYP1A2CYP2A6SLC1A3SLC1A2
SCHEMBL3289610 0.78 RORC (0.42) RAB9ACYP1A2CYP2A6SLC1A3SLC1A2
SCHEMBL13052299 0.77 RAB9A (0.40) RAB9ACYP1A2CYP2A6SLC1A3SLC1A2
SCHEMBL1595059 0.77 RORC (0.41) RAB9ACYP1A2CYP2A6SLC1A3SLC1A2
Lithium Ion SCHEMBL2994019 0.75 RORC (0.43) RAB9ACYP1A2CYP2A6SLC1A3SLC1A2
SCHEMBL11654511 0.75 SLC1A3 (0.47) RAB9ACYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL10083976 0.74 RORC (0.40) RAB9ACYP1A2CYP2A6SLC1A3SLC1A2
SCHEMBL14235467 0.73 CYP1A2 (0.43) RAB9ACYP1A2CYP2A6SLC1A3SLC1A2

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-20100297560-A1 POSITIVE RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND POLYMERIC COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2010-11-25 US disclosed