SCHEMBL3667003

SCHEMBL3667003

NC(N)C1CCCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.48
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SHBG P04278 1/20 0.41
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL80338 1.00
SCHEMBL10910429 1.00 EPHX1 (0.48) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL18402782 1.00 EPHX1 (0.48) EPHX1TP53KDM4EGMNNLMNA
Ammonia Solution, Strong SCHEMBL2962247 0.97 EPHX1 (0.46) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL3668939 0.96
SCHEMBL4383615 0.89
SCHEMBL22340898 0.84 ALDH1A1 (0.40) EPHX1TP53KDM4EGMNNLMNA
SCHEMBL20211173 0.82 ALDH1A1 (0.44) EPHX1TP53KDM4EGMNNLMNA
Sulfuric Acid SCHEMBL4753791 0.82 EPHX1 (0.43) EPHX1TP53DPP4
SCHEMBL1832147 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020141614-A2 POLYIMIDE, POLYAMIC ACID, RESIN SOLUTION, COATING AGENT, AND POLYIMIDE FILM JXTGエネルギー株式会社 2020-07-09 WO disclosed
US-9550798-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2017-01-24 US disclosed
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed
US-5100877-A Chemotherapy, anticancer agents, improved water solubility, side effect reduction KURARAY CO., LTD. (JP) 1992-03-31 US disclosed
US-4948784-A ANTICARCINOGENIC AND-TUMOR AGENTS; WATER-SOLUBEL MACROMOLICULAR COMPLEXES; SIDE EFFECT REDUCTION KURARAY COMPANY, LTD. (JP) 1990-08-14 US disclosed
EP-0307827-A2 Novel macromolecular complexes, process for producing same and medicinal use of such complexes KURARAY CO., LTD. (JP) 1989-03-22 EP disclosed