SCHEMBL9972166

SCHEMBL9972166

CC1=CCC(C(C)(C)c2ccc(O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
CYP3A4 P08684 4/20 0.43
ALOX15 P16050 2/20 0.43
STAT3 P40763 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRNA7 P36544 1/20 0.43
PTPN1 P18031 1/20 0.39
ESR2 Q92731 6/20 0.38
ESR1 P03372 5/20 0.38
TYR P14679 1/20 0.38
AR P10275 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR6 P50406 1/20 0.38
ESRRG P62508 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL18676186 0.85 ESR2 (0.39) LMNACYP3A4ESR2ESR1TYR
SCHEMBL9972159 0.84 LMNA (0.44) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL5604983 0.82 LMNA (0.51) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL5604930 0.82 LMNA (0.51) LMNACYP3A4ALOX15STAT3MEN1
SCHEMBL7871604 0.75 ESR2 (0.50) LMNACYP3A4ESR2ESR1TYR
Alpha-Terpineol SCHEMBL980991 0.73 LMNA (1.00) LMNACYP3A4ALOX15STAT3MEN1
Alpha-Terpineol SCHEMBL891812 0.73 LMNA (1.00) LMNACYP3A4ALOX15STAT3MEN1
Alpha-Terpineol SCHEMBL901351 0.73 LMNA (1.00) LMNACYP3A4ALOX15STAT3MEN1
Alpha-Terpineol SCHEMBL10925321 0.73 LMNA (1.00) LMNACYP3A4ALOX15STAT3MEN1
Alpha-Terpineol SCHEMBL28466 0.73 LMNA (1.00) 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 4 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-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
US-20120156546-A1 RESIN COMPOSITION AND ORGANIC-ELECTROLYTE BATTERY NISSAN MOTOR CO., LTD. 2012-06-21 US disclosed