SCHEMBL22606229

SCHEMBL22606229

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)ccc1OCC(CC)(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.31
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
DGAT1 O75907 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
SCHEMBL21232309 0.96 TSHR (0.30) TSHR
SCHEMBL21115640 0.96 TSHR (0.30) TSHR
SCHEMBL21231966 0.94
SCHEMBL26173550 0.93 FFAR4 (0.30)
SCHEMBL21232228 0.93 S1PR1 (0.32)
SCHEMBL21115840 0.92 FFAR4 (0.30)
SCHEMBL21232302 0.92 PPARD (0.32)
SCHEMBL19796638 0.90 TSHR (0.36) TSHRCYP2C9RAB9AALDH1A1LMNA
SCHEMBL21115676 0.90 PPARD (0.30)
SCHEMBL22483576 0.89 TSHR (0.32) TSHRCYP2C9ALDH1A1LMNAMAPT

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-11655417-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-05-23 US disclosed
US-11655417-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-05-23 US disclosed
US-20200339882-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-10-29 US disclosed