SCHEMBL28181518

SCHEMBL28181518

CCN(CC)C(=O)Sc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
P2RX4 Q99571 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
NPY1R P25929 1/20 0.41
MAPK1 P28482 1/20 0.41
NPY2R P49146 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL11764822 0.87 ALDH1A1 (0.49) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL11761896 0.86 ALDH1A1 (0.46) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL16235879 0.83 ALDH1A1 (0.64) HSD17B10ALDH1A1HPGDTSHRLMNA
SCHEMBL11763563 0.81 LMNA (0.44) HSD17B10ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL11444045 0.81 ALDH1A1 (0.42) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL11764242 0.80 ALDH1A1 (0.41) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL11873905 0.78 ALDH1A1 (0.54) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL11763832 0.78 TSPO (0.42) ALDH1A1TSHR
SCHEMBL11763250 0.78 HPGD (0.43) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL16235854 0.78 LMNA (0.54) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105189572-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2017-10-17 CN disclosed