SCHEMBL9138596

SCHEMBL9138596

O=P(O)(OCc1ccccc1)OCc1ccc(Br)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.79
AKR1C3 P42330 1/20 0.51
SRC P12931 1/20 0.51
CETP P11597 3/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
HDAC3 O15379 1/20 0.44
PDPK1 O15530 1/20 0.44
MTOR P42345 1/20 0.44
ALPG P10696 1/20 0.44
PTK2B Q14289 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL5336792 0.93 TSHR (0.64) TSHRAKR1C3SRCRXRARXRB
SCHEMBL27908642 0.89 TSHR (1.00) TSHRAKR1C3SRCCETPPDPK1
SCHEMBL51316 0.89 TSHR (1.00) TSHRAKR1C3SRCCETPPDPK1
Ammonia Solution, Strong SCHEMBL7268743 0.87 TSHR (0.96) TSHRAKR1C3SRCCETPPDPK1
SCHEMBL9446520 0.87 TSHR (0.96) TSHRAKR1C3SRCCETPPDPK1
Hydrochloric Acid SCHEMBL10722992 0.87 TSHR (0.96) TSHRAKR1C3SRCCETPPDPK1
SCHEMBL4219700 0.87 TSHR (0.96) TSHRAKR1C3SRCCETPPDPK1
SCHEMBL28264490 0.87 TSHR (0.96) TSHRAKR1C3SRCCETPPDPK1
SCHEMBL11756554 0.87 TSHR (0.96) TSHRAKR1C3SRCCETPPDPK1
Phosphoric Acid SCHEMBL27741297 0.87 TSHR (0.96) TSHRAKR1C3SRCCETPPDPK1

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-5405736-A Staight or branched chain substituted or unstubstituted dialkyl or diaryl phosphate solvent which is solid below 60 degree centigrade, high melting point than coupler EASTMAN KODAK COMPANY (US) 1995-04-11 US disclosed