SCHEMBL9504704

SCHEMBL9504704

CC(C)OCc1ccccc1.[Na]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
IDO1 P14902 1/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
AGXT P21549 1/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MAOA P21397 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL15003 0.98 TSHR (0.52) TSHRIDO1SLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL21518155 0.95 TSHR (0.50) TSHRIDO1SLC6A2SLC6A4SLC6A3
Lithium SCHEMBL9504699 0.95 TSHR (0.50) TSHRIDO1SLC6A2SLC6A4SLC6A3
SCHEMBL21465397 0.89 TSHR (0.44) TSHRIDO1SLC6A2SLC6A4SLC6A3
SCHEMBL649272 0.85 IDO1 (0.44) IDO1SLC6A2SLC6A4SLC6A3AGXT
SCHEMBL12936629 0.85 IDO1 (0.55) TSHRIDO1AGXTCYP1A2CYP2D6
SCHEMBL1571975 0.83 TSHR (0.52) TSHRIDO1SLC6A2SLC6A4SLC6A3
Benzoic Acid SCHEMBL4532566 0.82 NR4A2 (0.54) TSHRSLC6A2SLC6A3SLC1A3SLC1A2
SCHEMBL19129544 0.81 LTA4H (0.52) TSHR
SCHEMBL646907 0.81 IDO1 (0.42) IDO1SLC6A2SLC6A4SLC6A3AGXT

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-0279463-B1 GRAFT POLYMERIZATION OF SUBSTITUTED STYRENE POLYMERS HAVING PENDANT VINYLIDENE GROUPS Nippon Paint Co., Ltd. (JP) 1993-05-26 EP disclosed
US-4853436-A Graft polymerization of substituted styrene polymers having pendant vinylidene groups NIPPON PAINT CO., LTD. (JP) 1989-08-01 US disclosed
EP-0279463-A2 Graft polymerization of substituted styrene polymers having pendant vinylidene groups Nippon Paint Co., Ltd. (JP) 1988-08-24 EP disclosed