SCHEMBL5654025

SCHEMBL5654025

CC(C)CCCCCCCCCCCc1nnc(S)s1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
GLS O94925 2/20 0.36
LMNA P02545 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL8046529 0.77 ALDH1A1 (0.58) ALDH1A1POLBGLSLMNANPSR1
Ammonia Solution, Strong SCHEMBL9186407 0.76 OPRM1 (0.34) ALDH1A1LMNA
SCHEMBL20168659 0.72
SCHEMBL10404416 0.70 ALDH1A1 (0.35) ALDH1A1POLBGLSTSHR
SCHEMBL4444193 0.70 ALDH1A1 (0.40) ALDH1A1POLBGLSNPSR1
SCHEMBL22368217 0.63 ALDH1A1 (0.73) ALDH1A1POLBGLSNPSR1TSHR
SCHEMBL22861048 0.63 POLB (0.37) ALDH1A1POLBGLSTSHR
SCHEMBL21925059 0.63 LMNA (0.67) ALDH1A1LMNAHIF1AEPAS1TSHR
SCHEMBL20530387 0.63 LMNA (0.67) ALDH1A1LMNAHIF1AEPAS1TSHR
SCHEMBL7580335 0.63 LMNA (0.67) ALDH1A1LMNAHIF1AEPAS1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109364-B2 Group of anti-cancer compounds with specific structure and their production method YANG ZHENHUA 2006-09-19 US claimed
EP-1259470-A4 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD YANG ZHENHUA (US) 2005-06-15 EP claimed
US-20040034242-A1 Group of anti-cancer compounds with specific structure and their production method YANG ZHENHUA (US) 2004-02-19 US claimed
EP-1259470-A2 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD Yang, Zhenhua (US) 2002-11-27 EP claimed
WO-2001059067-A2 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD YANG ZHENHUA (US) 2001-08-16 WO claimed
US-7109364-B2 Group of anti-cancer compounds with specific structure and their production method YANG ZHENHUA 2006-09-19 US disclosed
EP-1259470-A4 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD YANG ZHENHUA (US) 2005-06-15 EP disclosed
US-20040034242-A1 Group of anti-cancer compounds with specific structure and their production method YANG ZHENHUA (US) 2004-02-19 US disclosed
EP-1259470-A2 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD Yang, Zhenhua (US) 2002-11-27 EP disclosed
WO-2001059067-A2 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD YANG ZHENHUA (US) 2001-08-16 WO disclosed