SCHEMBL5169862

SCHEMBL5169862

CCCOc1cc(-c2cccc(N(C)C(=O)NCCc3ccc(OC)cc3)c2)ccc1CCC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ACACB O00763 1/20 0.38

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
SCHEMBL2085835 0.93 LMNA (0.41) MTNR1AMTNR1BADRB1ADRB3SMN1; SMN2
SCHEMBL2081800 0.78 FFAR1 (0.50) LMNAKMT2A
SCHEMBL4211215 0.75 CAPN1 (0.46) SMN1; SMN2LMNAKMT2AALDH1A1MAPT
SCHEMBL4218382 0.74 KMT2A (0.44) MTNR1AMTNR1BSMN1; SMN2LMNAGLA
SCHEMBL4211218 0.74 KMT2A (0.44) MTNR1AMTNR1BSMN1; SMN2LMNAGLA
SCHEMBL4211214 0.74 KMT2A (0.44) MTNR1AMTNR1BSMN1; SMN2LMNAGLA
SCHEMBL2084192 0.73 MTNR1A (0.44) MTNR1AMTNR1B
SCHEMBL5561305 0.73 NPY5R (0.43) LMNAALDH1A1
SCHEMBL2084264 0.72 DRD2 (0.41)
SCHEMBL2084806 0.72 LTB4R (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781297-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP disclosed
WO-2006018326-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-23 WO disclosed