SCHEMBL9860993

SCHEMBL9860993

O=S(=O)(O)OSCCCCOc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
BRCA1 P38398 1/20 0.39
HTT P42858 1/20 0.39
GMNN O75496 1/20 0.39
PKM P14618 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 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
SCHEMBL9860970 0.95 ALDH1A1 (0.40) KDM4EALDH1A1RAB9AATML3MBTL1
SCHEMBL9861394 0.89 MAPT (0.40) KDM4EALDH1A1SMN1; SMN2LMNARECQL
SCHEMBL9861514 0.84 KCNA3 (0.52) ALDH1A1L3MBTL1RECQLPKM
SCHEMBL9861157 0.83 KCNA3 (0.50) ALDH1A1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL9861795 0.83 KCNA3 (0.50) ALDH1A1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL9861091 0.80 KCNA3 (0.48) ALDH1A1L3MBTL1RECQLNPC1PKM
SCHEMBL9861831 0.75 RAB9A (0.46) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL9861080 0.74 HRH3 (0.47) KDM4ESMN1; SMN2LMNAHTTDRD4
SCHEMBL9860989 0.74 KDM4E (0.46) KDM4EALDH1A1RAB9AATML3MBTL1
SCHEMBL17445905 0.74 ATM (0.60) KDM4EALDH1A1RAB9AATML3MBTL1

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
EP-0150168-B1 USE OF METAL SALTS OF THIOSULPHURIC -S-ESTERS AS RUBBER/METAL BONDING PROMOTERS MONSANTO EUROPE S.A./N.V. (BE) 1991-05-08 EP disclosed
US-4581297-A STEEL BELTED RADIAL TIRES MONSANTO EUROPE, S.A. (BE) 1986-04-08 US disclosed