SCHEMBL21097780

SCHEMBL21097780

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccccc3)cc2CC)ccc1OCCC(CO)(CO)CCCC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.36
RARA P10276 2/20 0.35
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
SLC6A9 P48067 2/20 0.34
PPARD Q03181 5/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 1/20 0.34
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
BCL2L1 Q07817 2/20 0.34
MCL1 Q07820 2/20 0.34
BCL2L11 O43521 1/20 0.34
BAK1 Q16611 1/20 0.34
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
ESR1 P03372 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
SCHEMBL21097776 0.95 SLC6A9 (0.35) PTPN11RARARARBRARGSLC6A9
SCHEMBL21097762 0.94 SLC6A9 (0.37) RARARARBRARGSLC6A9PPARD
SCHEMBL20288602 0.93 MAPK1 (0.34) PTPN11RARARARBRARGPPARD
SCHEMBL21097783 0.92 SLC6A9 (0.36) RARARARBRARGSLC6A9PPARD
SCHEMBL17070540 0.92 CNR2 (0.36) PTPN11RARARARBRARGPPARD
SCHEMBL18646503 0.92 CNR2 (0.36) PTPN11RARARARBRARGPPARD
SCHEMBL18646493 0.91 CNR2 (0.37) PTPN11RARBPPARDCNR2CNR1
SCHEMBL21097825 0.89 MAPK1 (0.34) RARARARBRARGPPARDPPARG
SCHEMBL21097828 0.89 MAPK1 (0.34) RARARARBRARGPPARDPPARG
SCHEMBL18646506 0.89 CNR2 (0.36) PTPN11RARARARBRARGPPARD

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-11072742-B2 Liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2021-07-27 US disclosed
US-20190185754-A1 LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-06-20 US disclosed