SCHEMBL9157429

SCHEMBL9157429

CCCCCCCCOc1cnc(-c2ccc(OC(=O)CCCCCCC3CC3)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
KMT2A Q03164 2/20 0.44
RARB P10826 3/20 0.44
NPC1 O15118 7/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
LMNA P02545 3/20 0.43
RAB9A P51151 5/20 0.43
ESR1 P03372 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL8446918 0.95 HPGD (0.46) SMN1; SMN2KMT2ARARBNPC1NFKB1
SCHEMBL8853553 0.92 RARB (0.44) SMN1; SMN2KMT2ARARBNPC1NFKB1
SCHEMBL8853559 0.92 RARB (0.44) SMN1; SMN2KMT2ARARBNPC1NFKB1
SCHEMBL10000256 0.91 RARB (0.43) SMN1; SMN2KMT2ARARBNPC1NFKB1
SCHEMBL8853910 0.91 RARB (0.43) SMN1; SMN2KMT2ARARBNPC1NFKB1
SCHEMBL8853902 0.91 RARB (0.43) SMN1; SMN2KMT2ARARBNPC1NFKB1
SCHEMBL6947421 0.89 RARB (0.54) SMN1; SMN2KMT2ARARBNPC1NFKB1
SCHEMBL9151411 0.89 RARB (0.54) SMN1; SMN2KMT2ARARBNPC1NFKB1
SCHEMBL7838480 0.89 HPGD (0.43) SMN1; SMN2KMT2ARARBNPC1NFKB1
SCHEMBL9839315 0.88 RARB (0.52) SMN1; SMN2KMT2ARARBNPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407599-A Cyclopropylaklyl or -alkenyl or heterocyclic compounds, process for their preparation and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-18 US disclosed
EP-0318423-B1 Liquid crystalline cyclopropyl alkyl or alkenylhetero rings, process for their preparation and their use in liquid-crystal mixtures HOECHST AG (DE) 1995-02-01 EP disclosed
EP-0318423-A2 Liquid crystalline cyclopropyl alkyl or alkenylhetero rings, process for their preparation and their use in liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-31 EP disclosed