SCHEMBL10944451

SCHEMBL10944451

O=CCC(c1ccccc1)S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.50
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 2/20 0.42
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HSD11B1 P28845 1/20 0.36
GMNN O75496 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL982815 0.83 CYP2C19 (0.58) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL28154652 0.83 SRC (0.48) SRCALDH1A1CYP2D6CYP2C19LMNA
Ammonia Solution, Strong SCHEMBL1594791 0.81 CYP2C19 (0.56) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL27504829 0.81 CYP2C19 (0.56) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL13281778 0.81 CA1 (0.40) CYP2D6CYP2C19HSD11B1POLB
Succinic Acid SCHEMBL27674622 0.80 CYP2C19 (0.54) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL14955046 0.79 SRC (0.57) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL14955287 0.79 SRC (0.57) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL1892682 0.79 MMP13 (0.44) ALDH1A1CYP2C19LMNAHSD11B1MAPT
SCHEMBL5159231 0.78 SRC (0.55) SRCALDH1A1CYP2D6CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4543166-A NICKEL, COBALT, ELECTRODEPOSITION, BRIGHTENERS, PUCTILITY, SULFONATES OMI INTERNATIONAL CORPORATION (US) 1985-09-24 US disclosed
US-4385176-A RING EXPANSION USING A LEWIS ACID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-24 US disclosed
US-4308380-A 2-Lower alkyl-2 or 3-cephem-4-carboxylic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-29 US disclosed
US-4252619-A Brightener for zinc electroplating solutions and process OXY METAL INDUSTRIES CORPORATION (US) 1981-02-24 US disclosed
US-4203897-A Penam derivatives FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-05-20 US disclosed
US-4113940-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1978-09-12 US disclosed
US-4091210-A Preparation of 3-alkyl-3-cephem-4-carboxylic acid compounds from dithio isopropenyl azetidine carboxylic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-05-23 US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 US disclosed
US-3984397-A CYCLIZATION FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-10-05 US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 US disclosed