SCHEMBL11583248

SCHEMBL11583248

Cc1cccc(OC(=O)c2cccc(S(=O)(=O)O)c2C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 4/20 0.44
▸ CYP2C19 P33261 4/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 6/20 0.43
▸ POLB P06746 2/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ TP53 P04637 2/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GFER P55789 1/20 0.39
▸ FAAH O00519 1/20 0.39

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
SCHEMBL11583036 0.87 ESR1 (0.46) MAPK1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL11583307 0.86 MAPT (0.51) ALOX15HSD17B10LMNACYP1A2CYP2C19
SCHEMBL12430328 0.78 LMNA (0.57) MAPK1ALOX15HSD17B10LMNACYP1A2
SCHEMBL11584035 0.77 LMNA (0.47) MAPK1ALOX15HSD17B10LMNACYP1A2
SCHEMBL11522628 0.77 TSHR (0.53) ALOX15HSD17B10LMNACYP1A2CYP2C19
SCHEMBL11583249 0.76 POLB (0.44) MAPK1ALOX15HSD17B10LMNACYP1A2
SCHEMBL60211 0.74 ALOX15 (0.47) ALOX15HSD17B10ALDH1A1SMN1; SMN2TDP1
SCHEMBL30842657 0.74 ALOX15 (0.47) ALOX15HSD17B10ALDH1A1SMN1; SMN2TDP1
SCHEMBL9789469 0.74 TSHR (0.44) MAPK1ALOX15HSD17B10LMNACYP2C19
SCHEMBL8901165 0.73 HSD17B10 (0.58) ALOX15HSD17B10LMNACYP1A2CYP2C19

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-4101551-A WATER INSOLUBILITY, AFFINITY FOR POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 — — US disclosed
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