SCHEMBL8404136

SCHEMBL8404136

CCOC(=O)c1cc(F)c2c(c1Cl)C(O)CCS2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
POLB P06746 3/20 0.34
MAPT P10636 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ADRB2 P07550 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 0.79 CYP4F2 (0.38) GAAPOLBMAPTHIF1ACYP4F2
SCHEMBL8405207 0.75 KDM4E (0.38) GAAMAPTCYP4F2CYP4A11BAZ2B
SCHEMBL8072009 0.74 ALDH1A1 (0.35) GAAPOLBMAPTHIF1ACYP4F2
SCHEMBL4501337 0.72 TSHR (0.46) MAPTCYP4F2CYP4A11BAZ2BBAZ2A
SCHEMBL2184188 0.69 TSHR (0.48) GAAMAPTALDH1A1TSHRCA1
SCHEMBL2001481 0.69 TSHR (0.52) GAAPOLBMAPTALDH1A1TSHR
SCHEMBL9873755 0.68 MTOR (0.42) GAAPOLBMAPTHIF1ACYP4F2
SCHEMBL29456210 0.68 TSHR (0.47) GAAPOLBMAPTALDH1A1TSHR
SCHEMBL20607773 0.68 TSHR (0.47) GAAPOLBMAPTALDH1A1TSHR
SCHEMBL27585785 0.68 KDM4E (0.41) GAAMAPTALDH1A1TSHRKDM4E

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-5863866-A HERBICIDES TO KILL WEEDS BUT NOT CROPS IDEMITSU KOSAN CO., LTD. (JP) 1999-01-26 US disclosed
EP-0819691-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-01-21 EP disclosed