SCHEMBL9972159

SCHEMBL9972159

CC1=CCC(C(C)(C)CC2CCC(C(C)(C)c3ccc(O)cc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
STAT3 P40763 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNA7 P36544 1/20 0.38
PTPN1 P18031 1/20 0.34
CES2 O00748 2/20 0.33
ESR2 Q92731 4/20 0.31
ESR1 P03372 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9972166 0.84 LMNA (0.57) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL9972161 0.73 ESR1 (0.33) ESR2ESR1
SCHEMBL18676186 0.71 ESR2 (0.39) LMNACYP3A4CES2ESR2ESR1
SCHEMBL5604983 0.69 LMNA (0.51) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL5604930 0.69 LMNA (0.51) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL7871604 0.68 ESR2 (0.50) LMNACYP3A4ESR2ESR1ALDH1A1
SCHEMBL2748056 0.67 ESR2 (0.47) LMNACYP3A4MEN1KMT2AESR2
SCHEMBL6314521 0.66 ESR1 (0.46) LMNACYP3A4KMT2AESR2ESR1
SCHEMBL12521324 0.65 LMNA (0.57) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL13084980 0.64 LMNA (0.56) LMNACYP3A4ALOX15STAT3MEN1

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-8574745-B2 Resin composition and organic-electrolyte battery NISSAN MOTOR CO., LTD. (JP) 2013-11-05 US disclosed
US-20120156546-A1 RESIN COMPOSITION AND ORGANIC-ELECTROLYTE BATTERY NISSAN MOTOR CO., LTD. 2012-06-21 US disclosed