SCHEMBL9399173

SCHEMBL9399173

CCCCCc1ccc(-c2ccc(-c3ccc(OCCCC)c(Cl)c3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
GLA P06280 1/20 0.59
S1PR1 P21453 2/20 0.55
CSNK2A1 P68400 2/20 0.50
BACE1 P56817 1/20 0.50
ATM Q13315 1/20 0.49
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL10980962 1.00 SMN1; SMN2 (0.59) SMN1; SMN2GLAS1PR1CSNK2A1BACE1
SCHEMBL10986578 0.99 SMN1; SMN2 (0.58) SMN1; SMN2GLAS1PR1CSNK2A1BACE1
SCHEMBL10984442 0.99 SMN1; SMN2 (0.58) SMN1; SMN2GLAS1PR1CSNK2A1BACE1
SCHEMBL10976576 0.99 SMN1; SMN2 (0.58) SMN1; SMN2GLAS1PR1CSNK2A1BACE1
SCHEMBL10975791 0.97 SMN1; SMN2 (0.56) SMN1; SMN2GLAS1PR1CSNK2A1BACE1
SCHEMBL10982899 0.96 SMN1; SMN2 (0.55) SMN1; SMN2GLAS1PR1CSNK2A1BACE1
SCHEMBL10979500 0.96 SMN1; SMN2 (0.55) SMN1; SMN2GLAS1PR1CSNK2A1BACE1
SCHEMBL10981424 0.96 SMN1; SMN2 (0.55) SMN1; SMN2GLAS1PR1CSNK2A1BACE1
SCHEMBL10975599 0.96 SMN1; SMN2 (0.55) SMN1; SMN2GLAS1PR1CSNK2A1BACE1
SCHEMBL10975775 0.96 SMN1; SMN2 (0.55) SMN1; SMN2GLAS1PR1CSNK2A1BACE1

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