SCHEMBL9858071

SCHEMBL9858071

CCCCCC(C)(C)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.45
SIGMAR1 Q99720 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
RIPK1 Q13546 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
FAAH O00519 2/20 0.39
GAA P10253 1/20 0.39
DNM1 Q05193 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL2370129 0.98 EPHX2 (0.47) EPHX2SIGMAR1L3MBTL1FAAHDNM1
SCHEMBL2369686 0.98 EPHX2 (0.47) EPHX2SIGMAR1L3MBTL1FAAHDNM1
SCHEMBL5606363 0.98 EPHX2 (0.47) EPHX2SIGMAR1L3MBTL1FAAHDNM1
SCHEMBL5071108 0.98 EPHX2 (0.47) EPHX2SIGMAR1L3MBTL1FAAHDNM1
Hydrochloric Acid SCHEMBL2232233 0.97 EPHX2 (0.46) EPHX2SIGMAR1L3MBTL1KDM4ECYP3A4
Bromide SCHEMBL6829956 0.97 EPHX2 (0.46) EPHX2SIGMAR1L3MBTL1FAAHDNM1
Hydrochloric Acid SCHEMBL3299241 0.97 EPHX2 (0.46) EPHX2SIGMAR1L3MBTL1KDM4ECYP3A4
Hydrochloric Acid SCHEMBL356747 0.97 EPHX2 (0.46) EPHX2SIGMAR1L3MBTL1KDM4ECYP3A4
Hydrochloric Acid SCHEMBL11150761 0.97 EPHX2 (0.46) EPHX2SIGMAR1L3MBTL1KDM4ECYP3A4
Bromide SCHEMBL2231411 0.97 EPHX2 (0.46) EPHX2SIGMAR1L3MBTL1FAAHDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0160634-B1 METAL COMPLEXES USEFUL AS RUBBER/METAL BONDING PROMOTERS MONSANTO EUROPE S.A./N.V. (BE) 1989-07-05 EP claimed
US-4654271-A ORGANIC THIOSULFATE, NICKEL OR COBALT, AMINE MONSANTO EUROPE, S. A. (BE) 1987-03-31 US claimed
EP-0160634-A2 Metal complexes useful as rubber/metal bonding promoters MONSANTO EUROPE S.A./N.V. (BE) 1985-11-06 EP claimed
CN-116891558-A Styrene block copolymer composition and anion exchange membrane prepared therefrom 科腾聚合物荷兰有限责任公司 2023-10-17 CN disclosed
EP-0241975-B1 PROCESS FOR THE PREPARATION OF ORGANIC THIOSULPHATES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-03-13 EP disclosed
EP-0160634-B1 METAL COMPLEXES USEFUL AS RUBBER/METAL BONDING PROMOTERS MONSANTO EUROPE S.A./N.V. (BE) 1989-07-05 EP disclosed
EP-0241975-A1 Process for the preparation of organic thiosulphates SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-10-21 EP disclosed
US-4654271-A ORGANIC THIOSULFATE, NICKEL OR COBALT, AMINE MONSANTO EUROPE, S. A. (BE) 1987-03-31 US disclosed
US-4654271-A ORGANIC THIOSULFATE, NICKEL OR COBALT, AMINE MONSANTO EUROPE, S. A. (BE) 1987-03-31 US disclosed
EP-0160634-A2 Metal complexes useful as rubber/metal bonding promoters MONSANTO EUROPE S.A./N.V. (BE) 1985-11-06 EP disclosed
EP-0160634-A2 Metal complexes useful as rubber/metal bonding promoters MONSANTO EUROPE S.A./N.V. (BE) 1985-11-06 EP disclosed