SCHEMBL8153480

SCHEMBL8153480

O=S(=O)(O)CCCP(c1ccccc1)c1ccccc1.[NaH]

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
APP P05067 1/20 0.34
TSHR P16473 1/20 0.34
LTA4H P09960 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
PKM P14618 1/20 0.32
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
CYP3A4 P08684 2/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
GFER P55789 1/20 0.30
PMP22 Q01453 1/20 0.30
MMP13 P45452 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8160080 0.98 SMN1; SMN2 (0.35) SMN1; SMN2APPTSHRLTA4HKDM4E
SCHEMBL8159899 0.95 SMN1; SMN2 (0.33) SMN1; SMN2APPTSHRLTA4HKDM4E
SCHEMBL8158074 0.93 SMN1; SMN2 (0.34) SMN1; SMN2APPTSHRLTA4HKDM4E
SCHEMBL8773423 0.89 TSHR (0.37) SMN1; SMN2TSHRLTA4HKDM4EALDH1A1
Carbon Monoxide SCHEMBL11109139 0.88 APP (0.31) SMN1; SMN2APPTSHRLTA4H
SCHEMBL8934009 0.86 TSHR (0.38) SMN1; SMN2TSHRLTA4HKDM4EALDH1A1
Fluoride SCHEMBL27518867 0.85 TSHR (0.37) SMN1; SMN2TSHRLTA4HKDM4EALDH1A1
Hydrochloric Acid SCHEMBL27537336 0.85 TSHR (0.37) SMN1; SMN2TSHRLTA4HKDM4EALDH1A1
SCHEMBL10964720 0.81 POLB (0.38) SMN1; SMN2TSHRKDM4EALDH1A1LMNA
Tetrabuthylammonium SCHEMBL15345895 0.79 CA12 (0.36) TSHRALDH1A1MMP13TDP1

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-5149868-A Carbonylation process SHELL OIL COMPANY (US) 1992-09-22 US claimed
EP-0805139-B1 HYDROFORMYLATION METHOD KURARAY CO (JP) 2000-04-26 EP disclosed
US-5773666-A CARRYING OUT REACTION IN THE PRESENCE OF A RHODIUM COMPOUND, A TERTIARY ORGANIC PHOSPHINE AND A POLAR ORGANIC COMPOUND KURARAY CO., LTD. (JP) 1998-06-30 US disclosed
EP-0805139-A1 HYDROFORMYLATION METHOD KURARAY CO., LTD. (JP) 1997-11-05 EP disclosed
EP-0489472-B1 Carbonylation process and catalyst composition SHELL INT RESEARCH (NL) 1997-10-29 EP disclosed
US-5149868-A Carbonylation process SHELL OIL COMPANY (US) 1992-09-22 US disclosed
EP-0489472-A2 Carbonylation process and catalyst composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-06-10 EP disclosed
US-4940683-A Polymerization process SHELL OIL COMPANY (US) 1990-07-10 US disclosed
US-4855399-A Carbon monoxide/olefin co-polymerization process with phosphino substituted sulfonic acid catalyst SHELL OIL COMPANY (US) 1989-08-08 US disclosed
US-4001017-A REDOX CATALYSTS, DIAZINES, ELECTRON DONORS CIBA-GEIGY AG (CH) 1977-01-04 US disclosed