SCHEMBL7018595

SCHEMBL7018595

O=C(O)C1(C2(C(=O)O)CCCCCCCCCCC2)CCCCCCCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
FFAR3 O14843 1/20 0.38
TSHR P16473 2/20 0.37
AKR1C1 Q04828 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
BLM P54132 1/20 0.37
CACNA2D1 P54289 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.32
HDAC4 P56524 1/20 0.31

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
SCHEMBL3831087 1.00 CYP2C19 (0.46) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL10276856 1.00 CYP2C19 (0.46) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL358029 1.00 CYP2C19 (0.46) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL23245204 0.97 CYP2C19 (0.42) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL11208917 0.97 CYP2C19 (0.42) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL9372565 0.93 CYP2C19 (0.40) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL8396115 0.93 CYP2C19 (0.40) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL20210740 0.84 CYP2C19 (0.37) CYP2C19TSHRAKR1C1USP2ALDH1A1
SCHEMBL28407071 0.84 CYP2C19 (0.39) CYP2C19FFAR3TSHRAKR1C1USP2
SCHEMBL7735493 0.83 FFAR3 (0.38) CYP2C19FFAR3AKR1C1

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-0856025-B1 CHOLESTERIC PHASE-FORMING POLYMERS AND THEIR USE CELANESE VENTURES GMBH (DE) 2003-01-15 EP claimed
EP-0856025-B1 CHOLESTERIC PHASE-FORMING POLYMERS AND THEIR USE CELANESE VENTURES GMBH (DE) 2003-01-15 EP disclosed
US-6107447-A LIQUID CRYSTALLINE POLYMERS HOECHST RESEARCH TECHNOLOGY DEUTCHLAND GMBH & CO. KG (DE) 2000-08-22 US disclosed
EP-0856025-A1 CHOLESTERIC PHASE-FORMING POLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) 1998-08-05 EP disclosed
WO-1997014739-A1 CHOLESTERIC PHASE-FORMING POLYMERS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST RESEARCH & TECHNOLOGY (DE) 1997-04-24 WO disclosed