SCHEMBL7601131

SCHEMBL7601131

CC(C)(c1ccc(OCCCS(=O)(=O)O)cc1)c1ccc(OCCCS(=O)(=O)O)cc1.[NaH].[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.49
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 9/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HTT P42858 2/20 0.49
POLB P06746 4/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
LMNA P02545 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44
CYP3A4 P08684 1/20 0.44
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
BRCA1 P38398 1/20 0.43
GMNN O75496 1/20 0.43

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
SCHEMBL11277221 0.94 ESR1 (0.46) S1PR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL11278588 0.86 KDM4E (0.44) S1PR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7757521 0.84 SMN1; SMN2 (0.65) S1PR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL12846186 0.84 ESR1 (0.48) S1PR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4872642 0.84 ALDH1A1 (0.54) S1PR1KDM4EALDH1A1HTTPOLB
SCHEMBL7086553 0.83 SMN1; SMN2 (0.63) S1PR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL5583900 0.82 ALDH1A1 (0.53) S1PR1KDM4EALDH1A1HTTPOLB
SCHEMBL7036740 0.82 LMNA (0.42) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL28335584 0.81 S1PR1 (0.47) S1PR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL7757518 0.80 S1PR1 (0.58) S1PR1ALDH1A1SMN1; SMN2CYP3A4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1266889-A2 Polyoxyalkylene substituted and bridged triazine and benzotriazole derivatives Ciba SC Holding AG (CH) 2002-12-18 EP disclosed
US-4861342-A Dyeing or finishing process using padding with continuous fixing of textile materials: graft polymer and microwave heating CIBA-GEIGY CORPORATION (US) 1989-08-29 US disclosed
US-4316838-A SALT OF AN ETHER SULFONATE TEIJIN CHEMICALS LTD. (JP) 1982-02-23 US disclosed
US-4285855-A A POLYCARBONATE BASED ON A DIHYDRIC PHENOL AND A COMPOUND OR RESIN HAVING CARBONATE GROUPS AND ALKALI OR ALKALINE METAL SULFONATE GROUPS TEIJIN CHEMICALS LTD. (JP) 1981-08-25 US disclosed
US-4222910-A SULFURIC ESTER OF AN ALCOHOL OR A METAL SULFONATE COMPOUND TEIJIN CHEMICALS, LTD. (JP) 1980-09-16 US disclosed
US-3993852-A DIALKYL PHENYLALKANEPHOSPHONATES CIBA-GEIGY AG (CH) 1976-11-23 US disclosed
US-3992560-A HALOGEN COMPOUNDS CIBA-GEIGY AG (CH) 1976-11-16 US disclosed
US-3991257-A ORGANOPHOSPHORUS COMPOUNDS CIBA-GEIGY AG (CH) 1976-11-09 US disclosed
US-3982053-A HALOGENATED BENZENE COMPOUND CIBA-GEIGY AG (CH) 1976-09-21 US disclosed