SCHEMBL28478583

SCHEMBL28478583

O=C(CC(O)CCO)c1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.64
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
ABL1 P00519 1/20 0.55
POLB P06746 1/20 0.55
ALPI P09923 1/20 0.55
GAA P10253 1/20 0.55
ALPG P10696 1/20 0.55
APEX1 P27695 1/20 0.55
CASP3 P42574 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
CASP7 P55210 1/20 0.55
CASP6 P55212 1/20 0.55
MCL1 Q07820 1/20 0.55
RIN1 Q13671 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 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
SCHEMBL28575145 0.83 DPP4 (0.57) DPP4KDM4EALDH1A1POLBGAA
SCHEMBL29359947 0.78 DPP4 (1.00) DPP4POLBGAAESR1ESR2
SCHEMBL4582312 0.75 HSD17B3 (0.53) DPP4KDM4EALDH1A1ABL1POLB
SCHEMBL3101794 0.74 DPP4 (0.72) DPP4NPC1RAB9APTPN1ESR1
SCHEMBL6781250 0.72 HSD17B3 (0.55) DPP4KDM4EALDH1A1ABL1POLB
SCHEMBL2991010 0.71 KDM4E (1.00) DPP4KDM4EALDH1A1ABL1POLB
SCHEMBL26358 0.71 BLM (0.67) KDM4EALDH1A1ABL1POLBALPI
SCHEMBL17014664 0.70 MAOB (0.57) DPP4POLBRAB9AESR1ESR2
SCHEMBL26965413 0.70 MAOB (0.57) DPP4POLBRAB9AESR1ESR2
Ethylene Glycol SCHEMBL7803540 0.68 NPC1 (0.79) DPP4KDM4EALDH1A1ABL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111671690-A A facial mask with skin color improving effect 上海逸圣生物科技有限公司 2020-09-18 CN claimed
CN-111671690-A A facial mask with skin color improving effect 上海逸圣生物科技有限公司 2020-09-18 CN disclosed