SCHEMBL11057091

SCHEMBL11057091

CCCCCC(C)NC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.41
SIGMAR1 Q99720 3/20 0.41
EPHX2 P34913 2/20 0.40
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL19593153 1.00 EPHX1 (0.41) EPHX1SIGMAR1EPHX2ADH1BADH1C
SCHEMBL27796880 0.98 SIGMAR1 (0.44) EPHX1SIGMAR1EPHX2ADH1BADH1C
SCHEMBL18520506 0.98 SIGMAR1 (0.44) EPHX1SIGMAR1EPHX2ADH1BADH1C
SCHEMBL18520241 0.98 SIGMAR1 (0.44) EPHX1SIGMAR1EPHX2ADH1BADH1C
SCHEMBL27797005 0.98 SIGMAR1 (0.44) EPHX1SIGMAR1EPHX2ADH1BADH1C
SCHEMBL18520361 0.98 SIGMAR1 (0.44) EPHX1SIGMAR1EPHX2ADH1BADH1C
SCHEMBL11057849 0.94 SIGMAR1 (0.40) EPHX1SIGMAR1EPHX2CYP1A2MEN1
SCHEMBL14459865 0.88 METAP1 (0.36) EPHX1SIGMAR1EPHX2
SCHEMBL172408 0.86 EPHX1 (0.42) EPHX1EPHX2MEN1KMT2A
SCHEMBL18844962 0.86 EPHX1 (0.42) EPHX1EPHX2MEN1KMT2A

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
CN-111995529-A Preparation method of alicyclic secondary diamine 江苏湘园化工有限公司 2020-11-27 CN disclosed
WO-2018138384-A1 POLYAMINOBORANES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-08-02 WO disclosed
EP-2535343-A2 Organoaminosilane precursors and methods for making and using same AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-12-19 EP disclosed
CN-1898317-B Composition and method for controlling crystallization rate of polyolefin-based resin, resin composition, and resin molded article NEW JAPAN CHEM CO LTD 2010-11-24 CN disclosed
US-4459424-A SECONDARY AMINE, CARBON DISULFIDE, METAL CONTAINING CATALYST AKZONA INCORPORATED (US) 1984-07-10 US disclosed