SCHEMBL15043558

SCHEMBL15043558

Cc1ccc(C23CC4CC(CC(C4)C2)C3)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
HSD11B1 P28845 1/20 0.33
NPC1 O15118 1/20 0.33
CNR2 P34972 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM4E B2RXH2 1/20 0.32
P2RX7 Q99572 1/20 0.31
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
IKBKB O14920 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
SCHEMBL24559595 0.78 MEN1 (0.49) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL22644281 0.78 MEN1 (0.49) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL22644225 0.78 MEN1 (0.49) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL15046513 0.77 RARA (0.43) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL28699951 0.73 ALDH1A1 (0.35) ALDH1A1LMNAMAPTTSHRKMT2A
SCHEMBL27489864 0.73 CYP1A2 (0.46) ALDH1A1LMNAMAPTTSHRKMT2A
SCHEMBL549467 0.71 MEN1 (0.39) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL548545 0.71 NPC1 (0.41) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL9721521 0.71 HSD11B1 (0.42) ALDH1A1LMNAMAPTTSHRKMT2A
SCHEMBL22644241 0.71 KDM1A (0.36) ALDH1A1LMNAKMT2AMEN1GAA

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-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