SCHEMBL7441202

SCHEMBL7441202

COC(=O)c1cc(F)c(F)c(OS(=O)(=O)O)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ CA5A P35218 1/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ POLB P06746 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ PDK2 Q15119 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
SCHEMBL2831221 0.82 KDM4E (0.45) HSD17B10ALDH1A1HPGDSOS1CA1
SCHEMBL1994444 0.77 MAPT (0.43) HSD17B10ALDH1A1HPGDTSHRSOS1
SCHEMBL6646364 0.76 KDM4E (0.39) HSD17B10ALDH1A1HPGDTSHRSOS1
SCHEMBL6642984 0.74 TSHR (0.44) HSD17B10ALDH1A1TSHRKDM4ESMN1; SMN2
SCHEMBL6644948 0.73 KDM4E (0.47) HSD17B10ALDH1A1HPGDTSHRCA1
SCHEMBL6647182 0.73 MAPT (0.40) HSD17B10ALDH1A1HPGDTSHRSOS1
SCHEMBL2165984 0.72 GAA (0.34) HPGDTSHRSMN1; SMN2USP2CDK1
SCHEMBL2166677 0.72 KMT2A (0.35) HSD17B10ALDH1A1HPGDTSHRCA2
SCHEMBL7595029 0.71 SOS1 (0.49) HSD17B10ALDH1A1HPGDTSHRSOS1
SCHEMBL7491095 0.71 SOS1 (0.45) HSD17B10ALDH1A1HPGDTSHRSOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 — — EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 — — EP disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 — — WO disclosed
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