SCHEMBL7727423

SCHEMBL7727423

CN(NC1CCCCC1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 2/20 0.39
ADH1A P07327 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
FAAH O00519 1/20 0.35
PHGDH O43175 1/20 0.35
MGLL Q99685 1/20 0.35
SIGMAR1 Q99720 2/20 0.33
PKM P14618 1/20 0.32
EPHX1 P07099 5/20 0.32
CYP3A4 P08684 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ADH1B P00325 1/20 0.32
ADH4 P08319 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL24329483 1.00 ADH1C (0.39) ADH1CADH1AALDH1A1HSD17B10FAAH
SCHEMBL24083946 1.00 ADH1C (0.39) ADH1CADH1AALDH1A1HSD17B10FAAH
SCHEMBL28140784 0.95 ALDH1A1 (0.39) ADH1CADH1AALDH1A1HSD17B10FAAH
SCHEMBL10424684 0.87 EPHX1 (0.42) ADH1CADH1AALDH1A1FAAHPHGDH
SCHEMBL6783474 0.81
SCHEMBL319749 0.76 ALDH1A1 (0.45) ADH1CADH1AALDH1A1HSD17B10SIGMAR1
SCHEMBL8979133 0.74 ADH1A (0.42) ADH1CADH1AALDH1A1FAAHPHGDH
SCHEMBL3142577 0.74 ALDH1A1 (0.43) ADH1CADH1AALDH1A1HSD17B10PHGDH
Ammonia Solution, Strong SCHEMBL22685960 0.74 ALDH1A1 (0.43) ADH1CADH1AALDH1A1HSD17B10SIGMAR1
SCHEMBL6069315 0.73

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
CN-110225964-B Composition with muguet smell 弗门尼舍有限公司 2023-05-23 CN disclosed
CN-111295438-A Lily of the valley odorant 弗门尼舍有限公司 2020-06-16 CN disclosed
US-6402990-B1 AMINO- AND/OR HYDROXYALKYLAMINO COMPOUND(S), WHICH ARE PARTIALLY OR COMPLETELY NEUTRALIZED WITH ONE OR MORE INORGANIC ACID(S) AND/OR AROMATIC CARBOXYLIC ACID(S); SURFACTANTS; ORGANOSILICONES AS WATER REPELLENT SIKA AG, VORM, KASPAR WINKLER & CO. (CH) 2002-06-11 US disclosed