SCHEMBL2169754

SCHEMBL2169754

C=CCSOc1ccccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
HSD17B10 Q99714 6/20 0.47
HPGD P15428 5/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 3/20 0.46
PTK2B Q14289 1/20 0.46
HTT P42858 2/20 0.45
ESR1 P03372 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
HMGB1 P09429 1/20 0.45
TSHR P16473 1/20 0.45
GGT1 P19440 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
BLM P54132 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
USP2 O75604 1/20 0.44

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
SCHEMBL2964438 0.78 KDM4E (0.53) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL28846240 0.77 KDM4E (0.51) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL9217136 0.77 KDM4E (0.51) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL11281805 0.75 KDM4E (0.53) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL144897 0.75 KDM4E (0.57) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL29402606 0.75 KDM4E (0.57) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL40310 0.75 LIG1 (0.69) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL29519569 0.75 LIG1 (0.69) KDM4EHSD17B10HPGDMAPTALDH1A1
Hydrochloric Acid SCHEMBL7221224 0.73 LIG1 (0.67) KDM4EHSD17B10HPGDMAPTALDH1A1
SCHEMBL7794511 0.73 LIG1 (0.67) KDM4EHSD17B10HPGDMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115286641-A Thioxanthone single-component visible light initiator and preparation method and application thereof 江南大学 2022-11-04 CN claimed
US-20110183019-A1 METHODS OF SCREENING FOR AND TREATING AUTISM SPECTRUM DISORDERS AND COMPOSITIONS FOR SAME THETA BIOMEDICAL CONSULTING & DEVELOPMENT CO., INC (US) 2011-07-28 US claimed
CN-110769837-A Combination cancer immunotherapy with pentaazamacrocycle complexes 加莱拉实验室有限责任公司 2020-02-07 CN disclosed
US-9050275-B2 Methods of screening for and treating autism spectrum disorders and compositions for same THETA BIOMEDICAL CONSULTING & DEVELOPMENT CO., INC. (US) 2015-06-09 US disclosed
US-20110183019-A1 METHODS OF SCREENING FOR AND TREATING AUTISM SPECTRUM DISORDERS AND COMPOSITIONS FOR SAME THETA BIOMEDICAL CONSULTING & DEVELOPMENT CO., INC (US) 2011-07-28 US disclosed
US-5196487-A Chelate forming group KANSAI PAINT COMPANY, LIMITED (JP) 1993-03-23 US disclosed
US-4469874-A ALKYL THIOSALICYLATES MONSANTO COMPANY (US) 1984-09-04 US disclosed
US-4469874-A ALKYL THIOSALICYLATES MONSANTO COMPANY (US) 1984-09-04 US disclosed
US-4283508-A Fragrant prevulcanization inhibitors MONSANTO COMPANY (US) 1981-08-11 US disclosed
US-4283508-A Fragrant prevulcanization inhibitors MONSANTO COMPANY (US) 1981-08-11 US disclosed
US-4221800-A ANTIALLERGENS, ANTIHISTAMINES MILES LABORATORIES, INC. (US) 1980-09-09 US disclosed