SCHEMBL10423598

SCHEMBL10423598

CC(=O)Oc1ccc(-c2ccc(C(=O)OCCC(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ PKM P14618 2/20 0.58
▸ RARB P10826 1/20 0.48
▸ ELANE P08246 3/20 0.47
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10423302 0.88 HSD17B10 (0.50) HSD17B10MAPK1PKMELANEGAA
SCHEMBL10422534 0.86 MAPK1 (0.52) HSD17B10MAPK1PKMRARBELANE
SCHEMBL10423593 0.84 MAPK1 (0.50) HSD17B10MAPK1PKMRARBGAA
SCHEMBL9628197 0.83 MAPT (0.52) HSD17B10MAPK1PKMELANEKMT2A
SCHEMBL9628186 0.83 MAPT (0.52) HSD17B10MAPK1PKMELANEKMT2A
SCHEMBL1953298 0.83 MAPK1 (0.73) HSD17B10MAPK1PKMGAAKDM4E
SCHEMBL10423327 0.82 LMNA (0.62) HSD17B10MAPK1ALDH1A1KMT2AMAPT
SCHEMBL10423311 0.82 MAPK1 (0.48) HSD17B10MAPK1PKMRARBALDH1A1
SCHEMBL14399226 0.81 KMT2A (0.46) HSD17B10MAPK1PKMELANEALDH1A1
SCHEMBL10422527 0.81 CYP1A2 (0.48) HSD17B10MAPK1PKMRARBALDH1A1

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
EP-0174816-B1 BIPHENYL-BASED DIESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME AJINOMOTO CO., INC. (JP) 1990-05-23 — — EP disclosed
US-4831182-A Biphenyl-based diester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1989-05-16 — — US disclosed
US-4695651-A Biphenyl-based diester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1987-09-22 — — US disclosed
EP-0174816-A2 Biphenyl-based diester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1986-03-19 — — EP disclosed
Send feedback