SCHEMBL9510108

SCHEMBL9510108

CC(=O)O[C@@H](C)COC(=O)Oc1ccc(-c2ccc(OC(=O)OC[C@H](C)OC(C)=O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
MAPT P10636 4/20 0.40
CA2 P00918 2/20 0.39
ACACB O00763 2/20 0.39
ACACA Q13085 2/20 0.39
PKM P14618 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
ELANE P08246 1/20 0.37
HTR2A P28223 1/20 0.36
TSHR P16473 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
GALR3 O60755 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL7412947 0.83 HTR2A (0.57) MAPTPKMPOLBKMT2AGAA
SCHEMBL5696733 0.79 CYP1A2 (0.50) MAPTCA2ACACBACACAPKM
SCHEMBL25639011 0.79 MTNR1A (0.45) HSD17B10CA2LMNAGAASMN1; SMN2
SCHEMBL10352390 0.79 MAPT (0.49) HSD17B10MAPTCA2ACACBACACA
SCHEMBL9339760 0.78 CA2 (0.44) MAPTCA2MEN1KMT2ALMNA
SCHEMBL16832488 0.78 MTNR1A (0.44) MAPTMEN1KMT2ALMNAGAA
SCHEMBL9494095 0.78 SLC1A5 (0.49) MAPTLMNATSHR
SCHEMBL8149286 0.75 HSD17B10 (0.54) HSD17B10MAPTPKMPOLBKMT2A
SCHEMBL27356361 0.75 MAPT (0.47) MAPTCA2POLBMEN1KMT2A
SCHEMBL13926715 0.74 MAPT (0.51) MAPTCA2POLBKMT2ALMNA

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
EP-0386198-B1 THERMOCHROMIC MIXTURES MERCK PATENT GmbH (DE) 1993-10-13 EP claimed