SCHEMBL7206062

SCHEMBL7206062

CC(=O)Oc1cccc2c1CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.50
RXRB P28702 8/20 0.50
RXRG P48443 5/20 0.50
MRGPRX4 Q96LA9 1/20 0.48
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
BLM P54132 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL17596594 0.97 RXRA (0.50) RXRARXRBRXRGMRGPRX4MAPK1
SCHEMBL5833456 0.95 RXRA (0.49) RXRARXRBRXRGMAPK1ALDH1A1
SCHEMBL11449146 0.89 KDM4E (0.50) RXRARXRBRXRGMAPK1ALDH1A1
SCHEMBL6202024 0.86 KDM4E (0.45) RXRARXRBRXRGMAPK1ALDH1A1
SCHEMBL27705529 0.85 RXRA (0.47) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL11221730 0.83 RXRB (0.50) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL3727164 0.80 RXRA (0.48) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL2398249 0.79 RXRA (0.50) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL1872704 0.79 LMNA (0.51) RXRARXRBRXRGMAPK1ALDH1A1
SCHEMBL11805157 0.79 MRGPRX4 (0.52) MRGPRX4MAPK1ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8808966-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-19 US disclosed
US-20130029269-A1 POSITIVE RESIST COMPOSITION AND PATTTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-01-31 US disclosed
EP-0714396-B1 VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-12-10 EP disclosed
US-6100268-A MIGRAINES JANSSEN PHARMACEUTICA, N.V. (BE) 2000-08-08 US disclosed
US-5824682-A Vasoconstrictive dihydrobenzopyran derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 1998-10-20 US disclosed
EP-0714396-A1 VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-06-05 EP disclosed
WO-1995005383-A1 VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-02-23 WO disclosed