SCHEMBL9670477

SCHEMBL9670477

COC(=O)CCc1ccc(CCCCCCBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
CYP4A11 Q02928 3/20 0.49
CYP4F2 P78329 2/20 0.49
IDO1 P14902 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
F2RL1 P55085 1/20 0.44
EPHX2 P34913 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
Phenyl Propionic Acid SCHEMBL9670482 0.90 FFAR1 (0.55)
SCHEMBL10583619 0.88 TSHR (0.50) THRATHRBCYP4A11CYP4F2TSHR
SCHEMBL27700759 0.86 TSHR (0.48) THRATHRBCYP4A11CYP4F2TSHR
SCHEMBL8879639 0.86 CYP4F2 (0.50) CYP4A11CYP4F2IDO1TSHRADRB2
SCHEMBL9813840 0.86 THRA (0.60) THRATHRBCYP4A11CYP4F2
SCHEMBL9673644 0.85 CYP4A11 (0.63) CYP4A11CYP4F2IDO1HPGDADRB2
SCHEMBL27357681 0.85 FAAH (0.55) THRATHRB
SCHEMBL7824247 0.85 FFAR1 (0.54) TSHR
SCHEMBL7329848 0.85 EPHX2 (0.47) THRATHRBCYP4A11CYP4F2HPGD
SCHEMBL26239880 0.85 FAAH (0.55) THRATHRB

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-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed