SCHEMBL6441040

SCHEMBL6441040

C=COC(Cc1ccccc1)C1CS1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.35
EPHX1 P07099 2/20 0.33
TAAR1 Q96RJ0 5/20 0.32
SIGMAR1 Q99720 3/20 0.32
SLC6A2 P23975 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP1A2 P05177 1/20 0.31
SRR Q9GZT4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC18A2 Q05940 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
SCHEMBL3276592 0.77 EPHX1 (0.33) EPHX1CYP1A2MEN1KMT2A
SCHEMBL6442599 0.71 IDO1 (0.38) EPHX1SLC6A2SLC6A4SLC6A3
SCHEMBL2918968 0.70 SIGMAR1 (0.48) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL3121111 0.63 CHRNB2 (0.37) EPHX1SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL10071207 0.63 TRPA1 (0.51) TAAR1SIGMAR1SLC6A2MAOASLC6A4
SCHEMBL10616999 0.62 EPHX1 (0.41) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL9635933 0.62 BCHE (0.45) SIGMAR1SLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL11597494 0.62 SIGMAR1 (0.53) TAAR1SIGMAR1CYP1A2MEN1KMT2A
SCHEMBL8846364 0.61 TAAR1 (0.52) EPHX1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL1061707 0.60 EPHX1 (0.48) EPHX1TAAR1SIGMAR1SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270645-B1 Resin for optical material MITSUBISHI GAS CHEMICAL CO (JP) 2005-12-14 EP disclosed
EP-0874016-B1 Novel resin for optical material MITSUBISHI GAS CHEMICAL CO (JP) 2003-08-20 EP disclosed
EP-1270645-A1 Resin for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-01-02 EP disclosed
US-6117923-A OXIDATION RESISTANCE. POLYMERIZING A NOVEL SULFUR-CONTAINING COMPOUND HAVING AN EPISULFIDE STRUCTURE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-09-12 US disclosed
EP-0874016-A2 Novel resin for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-10-28 EP disclosed