SCHEMBL4609896

SCHEMBL4609896

CCCCC(CC)CCCCCCCS

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 4/20 0.48
TSHR P16473 4/20 0.48
CA2 P00918 2/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
DNM1 Q05193 2/20 0.39
ATM Q13315 1/20 0.37
OPRM1 P35372 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
BCL2L1 Q07817 2/20 0.35

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
SCHEMBL7752029 1.00 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4610380 1.00 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL29311784 0.98 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL8883429 0.95 LMNA (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1110043 0.95 LMNA (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4608593 0.95 LMNA (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL25751411 0.95 LMNA (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL8885551 0.91 LMNA (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1110056 0.91 LMNA (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL8883918 0.91 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976505-A1 COMBRETASTATIN DERIVATIVES AND RELATED THERAPEUTIC METHODS Abraxis BioScience, Inc. (US) 2008-10-08 EP disclosed
WO-2007059118-A1 COMBRETASTATIN DERIVATIVES AND RELATED THERAPEUTIC METHODS ABRAXIS BIOSCIENCE, INC. (US) 2007-05-24 WO disclosed
US-5650430-A Radicicol derivatives, their preparation and their anti-tumor activity SANKYO COMPANY, LIMITED (JP) 1997-07-22 US disclosed
US-5597846-A ESTERS OF RADICICOL SANKYO COMPANY, LIMITED (JP) 1997-01-28 US disclosed
WO-1991018905-A1 RADICICOL DERIVATIVES, THEIR PREPARATION AND THEIR ANTI-TUMOR ACTIVITY SANKYO COMPANY LIMITED (JP) 1991-12-12 WO disclosed
EP-0460950-A1 Radicicol derivatives, their preparation and their anti-tumour activity Sankyo Company Limited (JP) 1991-12-11 EP disclosed