SCHEMBL9638515

SCHEMBL9638515

[CH2]c1cc(C(C)(C)CC(C)(C)C)cc(C(C)(C)CC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.45
CYP3A4 P08684 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 2/20 0.36
IDH1 O75874 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ESR1 P03372 1/20 0.32
TP53 P04637 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
MAPT P10636 1/20 0.32
DRD1 P21728 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL2786875 0.87 SHBG (0.39) SHBGCYP3A4SMN1; SMN2HIF1AIDH1
SCHEMBL11179954 0.76 SHBG (0.45) SHBGCYP3A4SMN1; SMN2HIF1AIDH1
SCHEMBL1718278 0.76 SHBG (0.61) SHBGCYP3A4SMN1; SMN2HIF1AALDH1A1
SCHEMBL29560219 0.76 SHBG (0.61) SHBGCYP3A4SMN1; SMN2HIF1AIDH1
SCHEMBL2690562 0.71 SHBG (0.45) SHBGCYP3A4SMN1; SMN2HIF1AIDH1
SCHEMBL3297583 0.71 SHBG (0.41) SHBGCYP3A4SMN1; SMN2HIF1AIDH1
SCHEMBL1719781 0.71 GABRA1 (0.52) ALDH1A1ALOX15HSD17B10MEN1MAPT
SCHEMBL28463799 0.70 SHBG (0.44) SHBGCYP3A4SMN1; SMN2HIF1AIDH1
SCHEMBL22010094 0.70 SHBG (0.39) SHBGCYP3A4SMN1; SMN2HIF1AIDH1
SCHEMBL200255 0.70 SHBG (0.43) SHBGCYP3A4SMN1; SMN2HIF1AIDH1

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
EP-0346283-B1 LUBRICANT COMPOSITION CIBA-GEIGY AG (CH) 1992-07-29 EP disclosed
US-5091099-A Phosphite-free; containing aromatic amines and substituted phenols CIBA-GEIGY CORPORATION (US) 1992-02-25 US disclosed
EP-0346283-A2 Lubricant composition CIBA-GEIGY AG (CH) 1989-12-13 EP disclosed