SCHEMBL8893585

SCHEMBL8893585

C[CH]C(=O)OC(C)SCCCC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
LMNA P02545 2/20 0.34
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CTSK P43235 1/20 0.30
CES1 P23141 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL2430213 0.84 TSHR (0.46) EPHX1LMNAATMHPGDTSHR
SCHEMBL7063313 0.81 EPHX1 (0.50) EPHX1LMNAATMCES1HCAR2
SCHEMBL7063306 0.81 EPHX1 (0.50) EPHX1LMNAATMCES1HCAR2
SCHEMBL6408698 0.78 EPHX1 (0.47) EPHX1LMNAHPGDTSHR
SCHEMBL28411292 0.78 EPHX1 (0.50) EPHX1LMNATSHRCES1
SCHEMBL10426941 0.74 TSHR (0.42) EPHX1HPGDTSHR
SCHEMBL10427254 0.74 TSHR (0.42) EPHX1HPGDTSHR
SCHEMBL8424510 0.74 EPHX1 (0.55) EPHX1LMNACES1
SCHEMBL2432692 0.74 TSHR (0.43) EPHX1LMNATSHR
SCHEMBL10763267 0.73 EPHX1 (0.58) EPHX1LMNATSHRCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed