SCHEMBL9399451

SCHEMBL9399451

CCCCCC1CCC(C(C)c2cnc(-c3ccc(OCCCC)c(C#N)c3)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.46
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL9398706 0.89 XDH (0.46) XDHALDH1A1HPGD
SCHEMBL9398650 0.86 XDH (0.39) XDHALDH1A1HPGD
SCHEMBL9399427 0.86 S1PR1 (0.38) XDHALDH1A1HPGD
SCHEMBL9399867 0.86 SMN1; SMN2 (0.38) HPGD
SCHEMBL9398971 0.86 TLR9 (0.39)
SCHEMBL9398565 0.86 NPC1 (0.33) XDHALDH1A1
SCHEMBL9399100 0.85 XDH (0.47) XDHALDH1A1HPGD
SCHEMBL9399090 0.85 XDH (0.47) XDHALDH1A1HPGD
SCHEMBL9399227 0.85 XDH (0.51) XDHALDH1A1HPGD
SCHEMBL9399234 0.85 XDH (0.51) XDHALDH1A1HPGD

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 6 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