SCHEMBL4608593

SCHEMBL4608593

CCCCCCCCC(CC)CCCCCS

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
OPRM1 P35372 1/20 0.42
CA2 P00918 2/20 0.41
DNM1 Q05193 2/20 0.39
THRB P10828 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
GPR84 Q9NQS5 2/20 0.35
FDPS P14324 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
SCHEMBL1110043 1.00 LMNA (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL25751411 1.00 LMNA (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL8883429 1.00 LMNA (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL1110056 0.95 LMNA (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL4610380 0.95 ALDH1A1 (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL8885551 0.95 LMNA (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL7752029 0.95 ALDH1A1 (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL4609896 0.95 ALDH1A1 (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL4609866 0.93 ALDH1A1 (0.46) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL29311784 0.93 ALDH1A1 (0.52) LMNAALDH1A1TDP1TSHRCYP3A4

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