SCHEMBL17742300

SCHEMBL17742300

COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C[C@@](C)(/C=C\F)CC[C@@H]12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.60
▸ RXRB P28702 1/20 0.60
▸ RXRG P48443 1/20 0.60
▸ MMP2 P08253 1/20 0.38
▸ HSD17B10 Q99714 3/20 0.37
▸ PDK1 Q15118 2/20 0.37
▸ PDK2 Q15119 2/20 0.37
▸ PDK3 Q15120 2/20 0.37
▸ PDK4 Q16654 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SLCO1B3 Q9NPD5 1/20 0.37
▸ SLCO1B1 Q9Y6L6 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL17742302 1.00 RXRA (0.60) RXRARXRBRXRGMMP2HSD17B10
SCHEMBL17891642 0.89 RXRA (0.77) RXRARXRBRXRGMMP2HSD17B10
SCHEMBL17891657 0.89 RXRA (0.77) RXRARXRBRXRGMMP2HSD17B10
SCHEMBL17891641 0.89 RXRA (0.77) RXRARXRBRXRGMMP2HSD17B10
SCHEMBL31390163 0.88 RXRA (0.78) RXRARXRBRXRGMMP2HSD17B10
Isopimaric Acid SCHEMBL12732275 0.75 RXRA (1.00) RXRARXRBRXRGMMP2HSD17B10
Isopimaric Acid SCHEMBL15339339 0.75 RXRA (1.00) RXRARXRBRXRGMMP2HSD17B10
Isopimaric Acid SCHEMBL15744757 0.75 RXRA (1.00) RXRARXRBRXRGMMP2HSD17B10
Isopimaric Acid SCHEMBL4549113 0.75 RXRA (1.00) RXRARXRBRXRGMMP2HSD17B10
Isopimaric Acid SCHEMBL234276 0.75 RXRA (1.00) RXRARXRBRXRGMMP2HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850268-B2 Metathesis catalysts and methods thereof TRUSTEES OF BOSTON COLLEGE (US) 2017-12-26 — — US disclosed
WO-2016073750-A1 METATHESIS CATALYSTS AND METHODS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-05-12 — — WO disclosed
Send feedback