SCHEMBL8853902

SCHEMBL8853902

CCCCCCCCOc1cnc(-c2ccc(OC(=O)CC[C@H]3CC[C@H](CC)CC3)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.43
NPC1 O15118 7/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 5/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 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
SCHEMBL8853910 1.00 RARB (0.43) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10000256 1.00 RARB (0.43) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL8853553 0.95 RARB (0.44) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL8853559 0.95 RARB (0.44) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL7838480 0.92 HPGD (0.43) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9157429 0.91 SMN1; SMN2 (0.44) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL7823480 0.88 RARB (0.46) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL8446918 0.86 HPGD (0.46) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9563672 0.85 RAB9A (0.38) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10000272 0.85 KMT2A (0.42) NPC1SMN1; SMN2NFKB1NFKB2RELA

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
US-5679792-A ELECTROOPTICS, DISPLAYS HOECHST AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
EP-0552658-A1 3-Cyclohexyl propionic acid derivatives and their use in ferroelectric liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-28 EP disclosed