SCHEMBL21096571

SCHEMBL21096571

CC[C@H](C)Cc1ccc(OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.49
ACR P10323 2/20 0.49
KMT2A Q03164 9/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.46
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MAOB P27338 1/20 0.42
GBA1 P04062 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL24158118 1.00 PRSS1 (0.49) PRSS1ACRKMT2AMEN1NPC1
SCHEMBL12154333 1.00 PRSS1 (0.49) PRSS1ACRKMT2AMEN1NPC1
SCHEMBL26603600 0.96 PRSS1 (0.46) PRSS1ACRKMT2AMEN1NPC1
SCHEMBL12154313 0.96 PRSS1 (0.46) PRSS1ACRKMT2AMEN1NPC1
SCHEMBL21096326 0.96 PRSS1 (0.46) PRSS1ACRKMT2AMEN1NPC1
SCHEMBL10745842 0.96 PRSS1 (0.46) PRSS1ACRKMT2AMEN1NPC1
SCHEMBL14078792 0.90 L3MBTL1 (0.44) PRSS1ACRKMT2AMEN1NPC1
SCHEMBL20594558 0.90 TP53 (0.48) PRSS1ACRKMT2ASMN1; SMN2MAPT
SCHEMBL9513316 0.90 TP53 (0.48) PRSS1ACRKMT2ASMN1; SMN2MAPT
SCHEMBL11600892 0.89 MAPT (0.60) PRSS1KMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802243-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-31 US disclosed
US-11781069-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-10 US disclosed
US-20230295511-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-09-21 US disclosed
US-20230295510-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-09-21 US disclosed
EP-3933009-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-08-16 EP disclosed
EP-3839008-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-07-26 EP disclosed
US-20230024370-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-01-26 US disclosed
EP-3933009-A1 LIQUID CRYSTAL MEDIUM Merck Patent GmbH (DE) 2022-01-05 EP disclosed
US-20210179942-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2021-06-17 US disclosed
EP-3502210-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-09-09 EP disclosed
EP-3502210-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2019-06-26 EP disclosed
US-20190185748-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2019-06-20 US disclosed