SCHEMBL21547585

SCHEMBL21547585

C=C(C)Cc1cc(C(F)(F)F)cc(CC(=C)C)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CETP P11597 5/20 0.33
PTGS1 P23219 1/20 0.32
NOTUM Q6P988 1/20 0.32
TBXA2R P21731 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 2/20 0.31
GAA P10253 1/20 0.31
IDO1 P14902 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR35 Q9HC97 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL241385 0.84 ALOX15 (0.37) HTTTSHRALDH1A1ALOX15TDP1
SCHEMBL24805776 0.81 MAPT (0.41) LMNACETPTBXA2RPTGDRPTGDR2
SCHEMBL21547604 0.79 CYP2C19 (0.33) RXRAHTTSMN1; SMN2MAPTL3MBTL1
SCHEMBL21547557 0.75 MAPT (0.33) MAPT
SCHEMBL21547581 0.74 RARG (0.32) RXRA
SCHEMBL21547575 0.72 ACHE (0.35) MAPTALDH1A1KDM4ETDP1
SCHEMBL21547590 0.72 ELANE (0.39) LMNAHTTSMN1; SMN2GAAALDH1A1
SCHEMBL31062891 0.70 MTNR1A (0.52) RXRARXRBRXRGLMNAHTT
SCHEMBL18610098 0.68 MAPT (0.40) LMNAMAPTIDO1ALDH1A1L3MBTL1
SCHEMBL21547607 0.67 GABRA1 (0.35) MAPTALOX15

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