SCHEMBL9399340

SCHEMBL9399340

CCCCCC1CCC(C(C)c2ncc(-c3ccc(OC(=O)CC)c(Br)c3)cn2)CC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.33
TP53 P04637 1/20 0.33
PTPN11 Q06124 4/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
HSP90AB1 P08238 1/20 0.32
IDH1 O75874 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 2/20 0.31
ABL1 P00519 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL9399461 0.89 GRIN1 (0.35) TP53ABL1
SCHEMBL9399137 0.89 GRM2 (0.35) HPGDTP53
SCHEMBL9399848 0.88 GAK (0.33) HPGDPTPN11PTPN1PTPN6PTGES
SCHEMBL9398713 0.87 S1PR1 (0.41) HPGD
SCHEMBL9398697 0.86 HPGD (0.33) HPGDTP53PTPN11PTGESALOX5
SCHEMBL9398862 0.86 NR3C1 (0.38) HPGDTP53PTPN11PTPN1PTPN6
SCHEMBL9398876 0.86 NR3C1 (0.38) HPGDTP53PTPN11PTPN1PTPN6
SCHEMBL9399354 0.86 HPGD (0.35) HPGDTP53PTPN11PTPN1PTPN6
SCHEMBL9399347 0.86 HPGD (0.35) HPGDTP53PTPN11PTPN1PTPN6
SCHEMBL9398693 0.85 ACACB (0.35) HPGDTP53PTPN11PTPN1PTPN6

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