SCHEMBL520280

SCHEMBL520280

CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.NC1CCCCCCCCCCC1.NC1CCCCCCCCCCC1.NC1CCCCCCCCCCC1

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.42
MMP1 P03956 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 2/20 0.41
MMP2 P08253 1/20 0.40
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 4/20 0.36
LMNA P02545 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
CA9 Q16790 1/20 0.34
KMT2A Q03164 1/20 0.34

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
Cyclohexylamine SCHEMBL27416385 1.00 MMP8 (0.42) MMP8MMP1CA1CA2MMP2
Cyclooctanamine SCHEMBL521739 1.00 MMP8 (0.42) MMP8MMP1CA1CA2MMP2
Cyclohexylamine SCHEMBL28160083 0.97 MMP8 (0.41) MMP8MMP1CA1CA2MMP2
Cyclohexylamine SCHEMBL27744924 0.89 ALDH1A1 (0.41) MMP8MMP1CA1CA2CA12
Cyclohexylamine SCHEMBL3501943 0.89 ALDH1A1 (0.41) MMP8MMP1CA1CA2CA12
SCHEMBL3726233 0.89
Cyclohexylamine SCHEMBL28860745 0.86 ALDH1A1 (0.39) MMP8MMP1CA1CA2MMP2
Cyclohexylamine SCHEMBL869134 0.85 ALDH1A1 (0.40) MMP8MMP1CA1CA2MMP2
Cyclohexylamine SCHEMBL9792266 0.84 ALDH1A1 (0.38) MMP8MMP1CA1CA2MMP2
Cyclohexylamine SCHEMBL7357483 0.84 CA1 (0.42) MMP8MMP1CA1CA2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392458-B1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEM CO LTD (JP) 2018-03-14 EP disclosed
US-20120028006-A1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed
EP-2392458-A2 POLYPROPYLENE RESIN MOLDED ARTICLE New Japan Chemical Co., Ltd. (JP) 2011-12-07 EP disclosed