SCHEMBL21547572

SCHEMBL21547572

CCc1cc(C(C)C)cc(CC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ HDAC4 P56524 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ FABP3 P05413 2/20 0.35
▸ FABP4 P15090 2/20 0.35
▸ FABP5 Q01469 1/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ DHFR P00374 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32

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
SCHEMBL16253659 0.88 TAAR1 (0.43) TAAR1PTGS2FABP3FABP4FABP5
SCHEMBL26165845 0.88 PTGS2 (0.47) TAAR1PTGS2HDAC4HDAC8L3MBTL1
SCHEMBL15002988 0.84 CYP1A2 (0.45) TAAR1PTGS2DHFRHTR2A
SCHEMBL18911676 0.79 FABP3 (0.39) TAAR1FABP3FABP4FABP5MAPT
SCHEMBL24213898 0.79 FABP3 (0.39) TAAR1HDAC4HDAC8FABP3FABP4
SCHEMBL11357376 0.78 PTGS2 (0.35) TAAR1PTGS2L3MBTL1DHFRHTR2A
SCHEMBL11358154 0.78 PTGS2 (0.35) TAAR1PTGS2L3MBTL1MAPK1DHFR
SCHEMBL11388917 0.78 PTGS2 (0.35) TAAR1PTGS2L3MBTL1DHFRHTR2A
SCHEMBL8855017 0.78 HMGCR (0.45) PTGS2FABP4FABP5MAPTALOX12
SCHEMBL12325395 0.77 PTGS2 (0.44) TAAR1PTGS2DHFRHTR2AMAPT

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
EP-2616513-B1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECH CO (SA) 2019-11-06 — — EP disclosed
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