SCHEMBL15043549

SCHEMBL15043549

CC12CCC(c3ccc(C#N)cc3)(CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.44
CYP2A6 P11509 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.40
CYP19A1 P11511 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL703760 0.78 CYP2A6 (0.46) PGRCYP2A6ALDH1A1POLBCYP19A1
SCHEMBL21130940 0.78 PGR (0.46) PGRALDH1A1CA2
SCHEMBL10582903 0.78 CYP2A6 (0.40) PGRCYP2A6ALDH1A1LOXL2
SCHEMBL3619202 0.78 PGR (0.58) PGRCYP2A6ALDH1A1CA12CA2
SCHEMBL29790403 0.78 PGR (0.50) PGRCYP2A6ALDH1A1POLB
SCHEMBL9553084 0.77 PGR (0.40) PGRCYP2A6ALDH1A1CYP19A1CA12
SCHEMBL18722099 0.77 ALDH1A1 (0.43) ALDH1A1POLBCA2
SCHEMBL16700954 0.76 DGAT1 (0.43) PGRCA12CA2CA3CA6
SCHEMBL7025606 0.75 PGR (0.42) PGRCYP2A6CYP19A1
SCHEMBL16700679 0.75 PGR (0.47) PGRALDH1A1CYP19A1

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
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9617473-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed