SCHEMBL16488190

SCHEMBL16488190

CCCC1CCC(C2CCC(COS(C)(=O)=O)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.35
CYP2C9 P11712 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MMP9 P14780 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 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
SCHEMBL3189817 0.93 ALDH1A1 (0.32) CYP2C9KDM4EUSP2ALDH1A1LMNA
SCHEMBL3189832 0.93 ALDH1A1 (0.32) CYP2C9KDM4EUSP2ALDH1A1LMNA
SCHEMBL3189822 0.93 ALDH1A1 (0.32) CYP2C9KDM4EUSP2ALDH1A1LMNA
SCHEMBL2907079 0.85 KDM4E (0.32) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2907078 0.85 KDM4E (0.32) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2907082 0.85 KDM4E (0.32) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL14414058 0.82 USP2 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7705221 0.82 USP2 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL1062380 0.82
SCHEMBL7773531 0.82 CYP1A2 (0.39) CYP2C9KDM4EUSP2ALDH1A1LMNA

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-2837671-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2017-10-25 EP disclosed
WO-2017079867-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-05-18 WO disclosed
US-20150048276-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-02-19 US disclosed
US-20150048276-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-02-19 US disclosed
EP-2837671-A2 Liquid crystalline medium Merck Patent GmbH (DE) 2015-02-18 EP disclosed