SCHEMBL9591058

SCHEMBL9591058

CCCCCCCCCCc1ccc(OC(=O)c2ccc(OCCCC3CCC(CCCCC)CC3)cc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 7/20 0.46
▸ NPC1 O15118 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 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
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL9591292 1.00 FAAH (0.46) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9591921 1.00 FAAH (0.46) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9591927 1.00 FAAH (0.46) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9588581 1.00 FAAH (0.46) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9588586 1.00 FAAH (0.46) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9591306 1.00 FAAH (0.46) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9591044 1.00 FAAH (0.46) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9592395 1.00 FAAH (0.46) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9592407 1.00 FAAH (0.46) FAAHNPC1LMNASMN1; SMN2NFKB1
SCHEMBL9589416 0.99 FAAH (0.47) FAAHNPC1LMNASMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5238600-A IBIMETHYLENOXY CONTAINING LIQUID CRYSTAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 1993-08-24 — — US disclosed
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