SCHEMBL2223626

SCHEMBL2223626

CSCC(C(=O)c1ccccc1)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.58
ALDH1A1 P00352 7/20 0.56
TSHR P16473 4/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 4/20 0.53
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
HIF1A Q16665 1/20 0.50
HSP90AA1 P07900 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL29118489 0.85 SLC6A2 (0.57) HSD17B10ALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL501353 0.85 HSD17B10 (0.61) HSD17B10ALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL321368 0.77 ALDH1A1 (0.67) HSD17B10ALDH1A1TSHRCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL10943241 0.76 ALDH1A1 (0.65) HSD17B10ALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL381975 0.75 TSHR (0.52) HSD17B10ALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL20591021 0.75 HSD17B10 (0.49) HSD17B10ALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL11946056 0.74 SLC6A3 (0.49) HSD17B10ALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL15599303 0.74 HSD17B10 (1.00) HSD17B10ALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL5138794 0.73 SLC6A3 (0.56) ALDH1A1TSHRSMN1; SMN2SLC6A2SLC6A3
SCHEMBL2468109 0.73 LMNA (0.73) HSD17B10ALDH1A1TSHRCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021122699-A1 TWO-STEPS LIGHT AND HEAT CURABLE RESIN COMPOSITION UNIVERSITÉ DE HAUTE-ALSACE (FR) 2021-06-24 WO disclosed
CN-107043561-B The product of polymer coating compositions and coating 阿里斯特医疗有限责任公司 2019-10-11 CN disclosed
CN-101094804-B MEMS package and method of manufacturing the same GEORGIA TECH RESEARCH CORP. (US) 2011-12-28 CN disclosed
WO-2011084554-A1 LED CURING OF RADIATION CURABLE FLOOR COATINGS DSM IP ASSETS. B.V. (NL) 2011-07-14 WO disclosed