SCHEMBL790543

SCHEMBL790543

Cc1ccccc1C1(c2ccccc2C)C2CC3CC(C2)CC1C3

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.37
HSD11B1 P28845 4/20 0.35
HDAC4 P56524 1/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
P2RX7 Q99572 3/20 0.34
OPRM1 P35372 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33

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
SCHEMBL6897685 0.81 HSD11B1 (0.38) SIGMAR1HSD11B1HDAC4P2RX7OPRM1
SCHEMBL6897911 0.80 ALDH1A1 (0.35) SIGMAR1HSD11B1HDAC4TSHRP2RX7
SCHEMBL1782514 0.79 KMT2A (0.39) HSD11B1
SCHEMBL29508385 0.79 KMT2A (0.39) HSD11B1
SCHEMBL7081965 0.77 HSD11B1 (0.34) SIGMAR1HSD11B1HDAC4TSHRACHE
SCHEMBL25312666 0.76 PDE7A (0.36) HSD11B1
SCHEMBL31164672 0.76 PDE7A (0.36) HSD11B1
SCHEMBL21981951 0.76 PDE7A (0.36) HSD11B1
SCHEMBL3132046 0.76 ALOX5AP (0.40) HSD11B1TSHROPRM1
SCHEMBL24058176 0.76 MAPT (0.39) TSHROPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616493-B1 POLYMERISATION METHOD UNIV COURT UNIV OF EDINBURGH (GB) 2020-07-01 EP disclosed
US-9018270-B2 Method for producing polymers comprising multiple repeat units of bicyclic diamines UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2015-04-28 US disclosed
US-20130267616-A1 Polymerisation Method UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2013-10-10 US disclosed