SCHEMBL9554792

SCHEMBL9554792

C=CC(=O)OCCCCCCCCCCS(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 2/20 0.53
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 3/20 0.41
THRB P10828 2/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MGLL Q99685 2/20 0.37
MET P08581 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 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
SCHEMBL9555543 1.00 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDKMT2A
SCHEMBL9555082 1.00 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDKMT2A
SCHEMBL9554991 0.99 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDKMT2A
SCHEMBL9555298 0.94 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDKMT2A
SCHEMBL9464166 0.88 KMT2A (0.45) TSHRALDH1A1CYP3A4HPGDKMT2A
SCHEMBL9555260 0.82 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDCA2
SCHEMBL9555241 0.82 ALDH1A1 (0.45) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL9555254 0.82 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDCA2
SCHEMBL9555050 0.82 ALDH1A1 (0.45) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL9317883 0.80 MMP13 (0.47) TSHRALDH1A1CYP3A4HPGDKMT2A

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-5235096-A Hydroxybenzenesulfone compound having a polymerizable group and process for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1993-08-10 US claimed
US-5235096-A Hydroxybenzenesulfone compound having a polymerizable group and process for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1993-08-10 US disclosed