SCHEMBL6441035

SCHEMBL6441035

C=COC(SCc1ccccc1)C1CO1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP2C9 P11712 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
SCHEMBL6442598 0.77
SCHEMBL3276592 0.74 EPHX1 (0.33) MEN1KMT2ACYP1A2
SCHEMBL4460887 0.68 IDO1 (0.38)
SCHEMBL8132371 0.66 EPHX1 (0.38) CYP1A2
SCHEMBL1371362 0.65 SLC6A2 (0.42) MEN1KMT2ACYP1A2CYP2C9
SCHEMBL1339056 0.65 SLC6A2 (0.42) MEN1KMT2ACYP1A2CYP2C9
SCHEMBL9248571 0.65 SLC6A2 (0.42) MEN1KMT2ACYP1A2CYP2C9
SCHEMBL3406250 0.65 SLC6A2 (0.42) MEN1KMT2ACYP1A2CYP2C9
SCHEMBL10126134 0.65 SLC6A2 (0.42) MEN1KMT2ACYP1A2CYP2C9
SCHEMBL1339058 0.65 SLC6A2 (0.42) MEN1KMT2ACYP1A2CYP2C9

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