SCHEMBL21577516

SCHEMBL21577516

CC1CCC(c2ccc(C(=O)OC[C@H](OC(=O)c3ccc(C4CCC(C)CC4)cc3)c3ccccc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 2/20 0.38
MAN2B1 O00754 1/20 0.38
ESR1 P03372 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
SLC1A5 Q15758 1/20 0.37
PRKCA P17252 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 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
SCHEMBL12731151 1.00 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2ESR2MAN2B1
SCHEMBL19557078 0.96 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2MAN2B1ADRB2
SCHEMBL21396315 0.96 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2MAN2B1ADRB2
SCHEMBL21386572 0.91 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2ESR2MAN2B1
SCHEMBL13424053 0.90 MAPT (0.43) ALDH1A1MAPTSMN1; SMN2MAN2B1LMNA
SCHEMBL13114327 0.89 CYP2C9 (0.41) ALDH1A1MAPTSMN1; SMN2MAN2B1LMNA
SCHEMBL17773278 0.89 CYP2C9 (0.41) ALDH1A1MAPTSMN1; SMN2MAN2B1LMNA
SCHEMBL9488764 0.89 CYP2C9 (0.40) ALDH1A1MAPTSMN1; SMN2ESR2MAN2B1
SCHEMBL9488758 0.89 CYP2C9 (0.40) ALDH1A1MAPTSMN1; SMN2ESR2MAN2B1
SCHEMBL14403169 0.88 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2LMNACYP1A2

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-3739020-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-08-23 EP disclosed
WO-2023150908-A1 LIQUID CRYSTAL COMPOSITION AND PREPARATION METHOD THEREFOR, AND DISPLAY PANEL 京东方科技集团股份有限公司 2023-08-17 WO disclosed
US-11306251-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2022-04-19 US disclosed
EP-3739020-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2020-11-18 EP disclosed
US-20190352564-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-11-21 US disclosed