SCHEMBL8925508

SCHEMBL8925508

CCCCCCCCc1ccc(NC(=O)C2(N)C=CC(c3ccccc3)C=C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 15/20 0.48
THRA P10827 3/20 0.48
THRB P10828 3/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
S1PR1 P21453 1/20 0.46
SPHK2 Q9NRA0 1/20 0.46

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
SCHEMBL15861573 0.72 THRA (0.68) SPHK1THRATHRBCA12CA1
SCHEMBL2025661 0.72 THRA (0.68) SPHK1THRATHRBCA12CA1
SCHEMBL15766485 0.72 THRA (0.68) SPHK1THRATHRBCA12CA1
SCHEMBL2026771 0.72 THRA (0.68) SPHK1THRATHRBCA12CA1
SCHEMBL2021247 0.72 THRA (0.68) SPHK1THRATHRBCA12CA1
SCHEMBL2018890 0.72 THRA (0.68) SPHK1THRATHRBCA12CA1
SCHEMBL2023029 0.72 THRA (0.68) SPHK1THRATHRBCA12CA1
SCHEMBL8925515 0.72 SPHK1 (0.52) SPHK1THRATHRB
SCHEMBL7339580 0.71 FAAH (0.72) THRATHRBS1PR1
Hydrochloric Acid SCHEMBL25402668 0.71 THRA (0.67) SPHK1THRATHRBCA12CA1

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-5659039-A YELLOW ORANGE DICHROIC DYES FOR POLARIZING FILMS FOR LIQUID CRYSTAL DISPLAYS MITSUI TOATSU CHEMICALS, INC. (JP) 1997-08-19 US disclosed