SCHEMBL9398697

SCHEMBL9398697

CCCCCC1CCC(C(C)c2cnc(-c3ccc(OC(=O)CC)c(Br)c3)nc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
XDH P47989 4/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
TP53 P04637 1/20 0.31
PTPN11 Q06124 1/20 0.31
IDH1 O75874 1/20 0.31
PKM P14618 1/20 0.30
RARB P10826 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
ALOX15 P16050 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
SCHEMBL9399063 0.89 GRM2 (0.35) HPGDTHRATHRB
SCHEMBL9398801 0.89 ACACB (0.35) THRATHRB
SCHEMBL9398565 0.88 NPC1 (0.33) THRATHRBXDHPTGESALOX5
SCHEMBL9398953 0.87 CYP2C9 (0.40) HPGDTHRATHRBXDHPTGES
SCHEMBL9398960 0.87 CYP2C9 (0.40) HPGDTHRATHRBXDHPTGES
SCHEMBL9398706 0.87 XDH (0.46) HPGDXDH
SCHEMBL9399340 0.86 HPGD (0.33) HPGDTHRATHRBPTGESALOX5
SCHEMBL9398715 0.86 RARB (0.40) HPGDTHRATHRBXDHPTGES
SCHEMBL9398707 0.86 RARB (0.40) HPGDTHRATHRBXDHPTGES
SCHEMBL9398752 0.85 XDH (0.38) HPGDTHRATHRBXDHPTGES

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338483-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-08-16 US disclosed
US-5310501-A Anisotropic compounds having Nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-05-10 US disclosed
US-5227484-A ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1993-07-13 US disclosed
US-5179101-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1993-01-12 US disclosed
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed
EP-0084194-B1 LIQUID CRYSTAL MIXTURES MERCK PATENT GmbH (DE) 1986-04-30 EP disclosed
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed