SCHEMBL2434575

SCHEMBL2434575

C=C(CC1C2CC3CC(C2)CC1C3)C(=O)OCOC

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
MAPK1 P28482 1/20 0.33
P2RX7 Q99572 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
SCHEMBL18045655 0.85 HSD11B1 (0.52) HSD11B1P2RX7
SCHEMBL18045654 0.84 HSD11B1 (0.47) HSD11B1MAPK1P2RX7
SCHEMBL14616361 0.73 MAPK1 (0.30) MAPK1
SCHEMBL1997818 0.72 HSD11B1 (0.63) HSD11B1P2RX7
SCHEMBL3828262 0.72 ALDH1A1 (0.44) HSD11B1P2RX7
SCHEMBL3286994 0.69 ALDH1A1 (0.42) HSD11B1
SCHEMBL2747443 0.69 HSD11B1 (0.57) HSD11B1P2RX7
SCHEMBL29178570 0.68 TSHR (0.33)
SCHEMBL1061355 0.67 ALDH1A1 (0.51) HSD11B1
SCHEMBL6836300 0.67 ALDH1A1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078028-B1 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA (US) 2011-09-07 EP disclosed
EP-2078028-A1 PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2009-07-15 EP disclosed
US-7547501-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-06-16 US disclosed
WO-2008041123-A1 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-04-10 WO disclosed
US-20080085463-A1 PHOTOACTIVE COMPOUNDS AZ ELECTRONICS MATERIALS USA CORP. 2008-04-10 US disclosed