SCHEMBL5597011

SCHEMBL5597011

CCCCCCCCCCCCCN1CCOC(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 2/20 0.43
S1PR4 O95977 1/20 0.43
GNAI3 P08754 6/20 0.42
GNAO1 P09471 6/20 0.42
GNAI1 P63096 6/20 0.42
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GUSB P08236 2/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL11135474 0.93 S1PR1 (0.38) S1PR1S1PR3S1PR5S1PR4GNAI3
SCHEMBL4550374 0.85 KDM4E (0.33)
SCHEMBL7324194 0.81 S1PR1 (0.45) S1PR1S1PR3S1PR5S1PR4GNAI3
SCHEMBL9801567 0.80 KDM4E (0.34) ALDH1A1
SCHEMBL1515408 0.80 KEAP1 (0.31)
SCHEMBL9801655 0.80 KEAP1 (0.52) SIGMAR1CYP2D6
SCHEMBL16732804 0.80 KEAP1 (0.31)
SCHEMBL25407519 0.79 S1PR1 (0.38) S1PR1S1PR3S1PR5S1PR4GNAI3
SCHEMBL19333633 0.79
SCHEMBL25406509 0.79 S1PR1 (0.38) S1PR1S1PR3S1PR5S1PR4GNAI3

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 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101525318-B Method for preparing 2, 6-dimethyl-N-tridecyl drewamine NANTONG WEILIKE CHEMICAL CO LTD 2010-12-29 CN claimed
CN-101525318-A Method for preparing 2, 6-dimethyl-N-tridecyl drewamine NANTONG WEILIKE CHEMICAL CO LT 2009-09-09 CN claimed
JP-2582885-B2 1997-02-19 JP claimed
EP-0305442-A1 FUNGICIDE COMPOSITIONS. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1989-03-08 EP claimed
WO-1988006841-A1 FUNGICIDE COMPOSITIONS Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1988-09-22 WO claimed
CN-104542627-A Compound composition containing methanesulfonyl bacteria oxazole and morpholine fungicides and preparation GAUNGXI TIANYUAN BIOCHEMISTRY 2015-04-29 CN disclosed
CN-101525318-B Method for preparing 2, 6-dimethyl-N-tridecyl drewamine NANTONG WEILIKE CHEMICAL CO LTD 2010-12-29 CN disclosed
CN-101525318-A Method for preparing 2, 6-dimethyl-N-tridecyl drewamine NANTONG WEILIKE CHEMICAL CO LT 2009-09-09 CN disclosed
CN-101056858-A (hetero)cyclyl(thio) carboxylic acid anilides for controlling pathogenic fungi BASF AG (DE) 2007-10-17 CN disclosed
CN-101052301-A (hetero) cyclylcarboxamides for controlling pathogenic fungi BASF AG (DE) 2007-10-10 CN disclosed
CN-1993050-A Fungicidal synergistic mixtures from triazolopyrimidine derivatives BASF AG (DE) 2007-07-04 CN disclosed
EP-1788877-A1 FUNGICIDAL SYNERGISTIC MIXTURES MADE OF TRIAZOLOPYRMIDINE DERIVATIVES BASF Aktiengesellschaft (DE) 2007-05-30 EP disclosed
WO-1997010716-A1 HARMFUL FUNGI CONTROL WITH AN ACTIVE SUBSTANCE INHIBITING RESPIRATION BY INHIBITING THE CYTOCHROME COMPLEX III, COMBINED WITH AN AMIDE BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO disclosed
CN-1141577-A Coated solid crop protection composition formulations BASF AG (DE) 1997-01-29 CN disclosed
CN-1107141-A Naphthyl ethers, their preparation, compositions containing them and their use BASF AG (DE) 1995-08-23 CN disclosed
EP-0219756-B1 Acrylic amides SHELL INT RESEARCH (NL) 1994-01-05 EP disclosed
US-4910200-A Agricultural fungicide CELAMERCK GMBH & CO. KG (DE) 1990-03-20 US disclosed
CN-87106446-A Microbicide compositions 1988-04-06 CN disclosed
EP-0083613-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES. MAY & BAKER LTD (GB) 1983-07-20 EP disclosed
WO-1983000332-A1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LTD (GB) 1983-02-03 WO disclosed