SCHEMBL8854664

SCHEMBL8854664

O=[PH2]OCOS(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TP53 P04637 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
ALPL P05186 2/20 0.36
ALPI P09923 1/20 0.36
AKR1B1 P15121 1/20 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
SCHEMBL6115619 0.87 MCL1 (0.47) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL8854480 0.81 F2 (0.35) ALDH1A1TSHRL3MBTL1GAA
SCHEMBL27489844 0.78 MCL1 (0.41) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL27450536 0.78 MCL1 (0.41) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL8854645 0.76 ALDH1A1 (0.40) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL196674 0.74 ALDH1A1 (0.43) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL29612647 0.74 ALDH1A1 (0.43) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL197124 0.73 RAB9A (0.45) MCL1ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL8854619 0.72 KMT2A (0.31) ALDH1A1GAAAKR1B1
SCHEMBL8854686 0.72 PKM (0.37) USP2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693590-A PLANT GROWTH REGULATOR ROHM AND HAAS COMPANY (US) 1997-12-02 US claimed