SCHEMBL1629428

SCHEMBL1629428

CC1=CCC(C(C)(C)OC(=O)C=Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
PTPN1 P18031 1/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
CHRNA7 P36544 1/20 0.41
STAT3 P40763 1/20 0.41
NR1H4 Q96RI1 2/20 0.40
CYP2C19 P33261 1/20 0.39
EGFR P00533 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 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
SCHEMBL1629427 1.00 LMNA (0.46) LMNACYP3A4ALOX15PTPN1GLA
SCHEMBL29454348 1.00 LMNA (0.46) LMNACYP3A4ALOX15PTPN1GLA
SCHEMBL22293372 0.87 LMNA (0.47) LMNACYP3A4ALOX15TDP1KMT2A
SCHEMBL22373120 0.80 NR1H4 (0.43) LMNAGLATDP1KMT2AMEN1
SCHEMBL5604543 0.80 CES2 (0.51) LMNACYP3A4ALOX15PTPN1TDP1
SCHEMBL15470541 0.79 LMNA (0.51) LMNACYP3A4ALOX15PTPN1KMT2A
SCHEMBL25380943 0.79 LMNA (0.57) LMNACYP3A4ALOX15PTPN1TDP1
SCHEMBL25380939 0.77 LMNA (0.59) LMNACYP3A4ALOX15PTPN1TDP1
Acetic Acid SCHEMBL1234733 0.76 LMNA (0.57) LMNACYP3A4ALOX15PTPN1TDP1
SCHEMBL19919389 0.76 LMNA (0.54) LMNACYP3A4ALOX15PTPN1KMT2A

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
US-20110093246-A1 Modeling Systems for Consumer Goods STANTON DAVID THOMAS 2011-04-21 US disclosed
US-20080040082-A1 Modeling systems for consumer goods THE PROCTER & GAMBLE COMPANY 2008-02-14 US disclosed
US-20080027575-A1 Modeling systems for health and beauty consumer goods PROCTER & GAMBLE COMPANY, THE 2008-01-31 US disclosed