SCHEMBL27376286

SCHEMBL27376286

O=C(O)Cc1cc(F)ccc1OI

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.46
CXCL8 P10145 2/20 0.45
PKM P14618 1/20 0.45
AGBL2 Q5U5Z8 1/20 0.43
CHRM1 P11229 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
PPARG P37231 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6343545 0.84 HSD17B10 (0.70) HSD17B10TSHRCXCL8PKMAGBL2
SCHEMBL29431167 0.84 HSD17B10 (0.70) HSD17B10TSHRCXCL8PKMAGBL2
SCHEMBL27364715 0.81 CAMK2A (0.51) HSD17B10TSHRGAANPSR1AKR1B1
SCHEMBL23229170 0.80 HSD17B10 (0.51) HSD17B10TSHRCXCL8PKMAGBL2
SCHEMBL2445135 0.80 HSD17B10 (0.51) HSD17B10TSHRCXCL8PKMAGBL2
SCHEMBL27355584 0.79 CHRM1 (0.54) HSD17B10TSHRCXCL8CHRM1FFAR1
SCHEMBL27382354 0.79 PTGDR2 (0.51) HSD17B10TSHRPTGDR2SMN1; SMN2
SCHEMBL27363505 0.79 SRC (0.50) HSD17B10TSHRGAAPTGDR2PPARG
SCHEMBL27357259 0.79 PTGDR2 (0.46) HSD17B10FFAR1FFAR4PTGDR2
SCHEMBL27354316 0.78 CXCL8 (0.59) CXCL8CHRM1AKR1B1

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
CN-1071540-C Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 2001-09-26 CN disclosed
CN-1140542-A Stabilization of aqueous 3-isothiazolone solutions ROHM & HAAS (US) 1997-01-22 CN disclosed