SCHEMBL7781973

SCHEMBL7781973

CC(=O)C(=O)Oc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
LMNA P02545 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP19A1 P11511 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL7268906 0.83 ELANE (0.54) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL20412354 0.82 HSD17B10 (0.54) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL701147 0.82 LMNA (0.58) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL27310554 0.82 HSD17B10 (0.46) HSD17B10LMNACYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2327786 0.80 LMNA (0.56) HSD17B10LMNACYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL27539616 0.80 LMNA (0.56) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL43236 0.77 ELANE (0.52) HSD17B10LMNACYP1A2KDM4EMAPT
SCHEMBL20412357 0.77 HSD17B10 (0.48) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL18727667 0.77 HSD17B10 (0.58) HSD17B10LMNACYP1A2CYP2C9CYP2C19
SCHEMBL13113097 0.76 KMT2A (0.55) LMNAKDM4EMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722715-B1 Cosmetic compositions containing lactate dehydrogenase inhibitors UNILEVER PLC (GB) 2001-10-24 EP claimed
US-5853742-A Cosmetic compositions containing lactate dehydrogenase inhibitors CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO (US) 1998-12-29 US claimed
US-5690944-A APPLYING TOPICALLY TO SKIN TO PREVENT WRINKLED AND AGED APPEARANCE CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1997-11-25 US claimed
EP-0722715-A1 Cosmetic compositions containing lactate dehydrogenase inhibitors UNILEVER PLC (GB) 1996-07-24 EP claimed
JP-8231372-A None JP disclosed
EP-0722715-B1 Cosmetic compositions containing lactate dehydrogenase inhibitors UNILEVER PLC (GB) 2001-10-24 EP disclosed
US-5853742-A Cosmetic compositions containing lactate dehydrogenase inhibitors CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO (US) 1998-12-29 US disclosed
US-5690944-A APPLYING TOPICALLY TO SKIN TO PREVENT WRINKLED AND AGED APPEARANCE CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1997-11-25 US disclosed
JP-H08231372-A COSMETIC COMPOSITION CONTAINING LACTATE DEHYDROGENASE INHIBITOR UNILEVER NV 1996-09-10 JP disclosed
EP-0722715-A1 Cosmetic compositions containing lactate dehydrogenase inhibitors UNILEVER PLC (GB) 1996-07-24 EP disclosed