SCHEMBL95135

SCHEMBL95135

CC1=CC(C)(C)Nc2ccccc21.CCCCCCCCCCCCc1ccc2c(c1)C(C)=CC(C)(C)N2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.61
▸ HPGD P15428 7/20 0.61
▸ KDM4E B2RXH2 6/20 0.61
▸ GAA P10253 1/20 0.61
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ MAPT P10636 4/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HSD17B10 Q99714 5/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2D6 P10635 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ PGR P06401 9/20 0.50
▸ LMNA P02545 3/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ ALOX12 P18054 1/20 0.48

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
SCHEMBL97245 0.94 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL7069498 0.94 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL7073745 0.94 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL7044150 0.94 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL7071614 0.94 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL1263211 0.92 ALDH1A1 (0.71) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL7071108 0.88 ALDH1A1 (0.73) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL28118940 0.84 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL7073326 0.83 ALDH1A1 (0.77) ALDH1A1HPGDKDM4EGAAMEN1
E324 SCHEMBL28126002 0.80 ALDH1A1 (0.70) ALDH1A1HPGDKDM4EGAAMEN1

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
US-6569927-B1 Oxidation resistance; synergistic mixtures UNIROYAL CHEMICAL COMPANY, INC. 2003-05-27 — — US claimed
EP-2426768-B1 Fuel supply for fuel cells INTELLIGENT ENERGY LTD (GB) 2016-01-06 — — EP disclosed
EP-2426767-B1 Fuel supply for fuel cells SOCIéTé BIC (FR) 2014-09-03 — — EP disclosed
US-8541078-B2 Fuel supplies for fuel cells SOCIETE BIC (FR) 2013-09-24 — — US disclosed
EP-1773933-B1 FUEL SUPPLIES FOR FUEL CELLS BIC SOC (FR) 2012-09-05 — — EP disclosed
EP-2426768-A2 Fuel supplies for fuel cells Société BIC (FR) 2012-03-07 — — EP disclosed
EP-2426767-A2 Fuel supplies for fuel cells Société BIC (FR) 2012-03-07 — — EP disclosed
CN-101233180-A Fuel supply device for fuel cell BIC SOC (FR) 2008-07-30 — — CN disclosed
US-20060030652-A1 Fuel supplies for fuel cells INTELLIGENT ENERGY LIMITED (GB) 2006-02-09 — — US disclosed
EP-0309284-B1 Stabilized carbon black loaded polyolefins UNIROYAL CHEM CO INC (US) 1995-02-15 — — EP disclosed
EP-0309284-A2 Stabilized carbon black loaded polyolefins UNIROYAL CHEMICAL COMPANY, Inc. (US) 1989-03-29 — — EP disclosed
Send feedback