SCHEMBL8137486

SCHEMBL8137486

CCOC(=O)c1cc(Cl)c2c(c1C)C(SCC)CCS2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
MAPK1 P28482 3/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
HIF1A Q16665 1/20 0.33
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6721445 0.84 CYP4F2 (0.38) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL8133369 0.81 HTT (0.30)
SCHEMBL6732015 0.71 BAZ2B (0.41) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL8137491 0.70 MAPT (0.34) CA1CA2MAPK1GAAMAPT
SCHEMBL6756227 0.67 TSHR (0.40) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL8404136 0.66 GAA (0.36) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL8072009 0.66 ALDH1A1 (0.35) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL236240 0.65 CYP4F2 (0.57) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL8544578 0.64 KDM4E (0.40) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL8544581 0.64 KDM4E (0.40) CYP4F2CYP4A11BAZ2BBAZ2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6159904-A Pyrazole derivatives IDEMITSU KOSAN CO., LTD. (JP) 2000-12-12 US disclosed
EP-0970956-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-01-12 EP disclosed