SCHEMBL10790137

SCHEMBL10790137

O=C(O)c1cccc(C2CCCCCCC2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.50
▸ KMO O15229 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ALB P02768 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ HNF4A P41235 1/20 0.44
▸ STS P08842 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PTPN5 P54829 3/20 0.42
▸ PTPN2 P17706 1/20 0.42
▸ HMGB1 P09429 2/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 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
SCHEMBL9403931 1.00 ACMSD (0.50) ACMSDKMOALDH1A1KDM4EHPGD
SCHEMBL10790290 1.00 ACMSD (0.50) ACMSDKMOALDH1A1KDM4EHPGD
SCHEMBL31011018 1.00 ACMSD (0.50) ACMSDKMOALDH1A1KDM4EHPGD
SCHEMBL300805 1.00 ACMSD (0.50) ACMSDKMOALDH1A1KDM4EHPGD
SCHEMBL11595517 0.98 ACMSD (0.49) ACMSDKMOALDH1A1KDM4EHPGD
SCHEMBL10790315 0.98 ACMSD (0.49) ACMSDKMOALDH1A1KDM4EHPGD
SCHEMBL30689750 0.93 ALDH1A1 (0.50) ACMSDKMOALDH1A1KDM4EHPGD
Salicylic Acid SCHEMBL29700477 0.92 ALDH1A1 (0.55) ACMSDKMOALDH1A1KDM4EHPGD
SCHEMBL290155 0.87 KDM4E (0.45) ACMSDKMOALDH1A1KDM4EHPGD
SCHEMBL7534066 0.86 TSHR (0.50) ACMSDKMOALDH1A1KDM4EPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925842-B1 AROMATIC SUBSTANCE MIXTURES CONTAINING HEXYL SALICYLATE HENKEL AG & CO KGAA (DE) 2018-02-21 — — EP claimed
EP-2925842-A1 AROMATIC SUBSTANCE MIXTURES CONTAINING HEXYL SALICYLATE Henkel AG & Co. KGaA (DE) 2015-10-07 — — EP claimed
WO-2014082834-A1 AROMATIC SUBSTANCE MIXTURES CONTAINING HEXYL SALICYLATE HENKEL AG & CO. KGAA (DE) 2014-06-05 — — WO claimed
EP-0168415-B1 UTILIZATION OF SALICYLIC ACID ESTERS AS PERFUMING SUBSTANCES, PERFUMING COMPOSITIONS CONTAINING THEM AND NEW SALICYLIC ACID ESTERS Henkel Kommanditgesellschaft auf Aktien (DE) 1987-08-12 — — EP claimed
EP-0168415-A1 UTILIZATION OF SALICYLIC ACID ESTERS AS PERFUMING SUBSTANCES, PERFUMING COMPOSITIONS CONTAINING THEM AND NEW SALICYLIC ACID ESTERS. HENKEL KGAA (DE) 1986-01-22 — — EP claimed
WO-1985003084-A1 UTILIZATION OF SALICYLIC ACID ESTERS AS PERFUMING SUBSTANCES, PERFUMING COMPOSITIONS CONTAINING THEM AND NEW SALICYLIC ACID ESTERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1985-07-18 — — WO claimed
EP-2925842-B1 AROMATIC SUBSTANCE MIXTURES CONTAINING HEXYL SALICYLATE HENKEL AG & CO KGAA (DE) 2018-02-21 — — EP disclosed
EP-2925842-A1 AROMATIC SUBSTANCE MIXTURES CONTAINING HEXYL SALICYLATE Henkel AG & Co. KGaA (DE) 2015-10-07 — — EP disclosed
WO-2014082834-A1 AROMATIC SUBSTANCE MIXTURES CONTAINING HEXYL SALICYLATE HENKEL AG & CO. KGAA (DE) 2014-06-05 — — WO disclosed
EP-0168415-A1 UTILIZATION OF SALICYLIC ACID ESTERS AS PERFUMING SUBSTANCES, PERFUMING COMPOSITIONS CONTAINING THEM AND NEW SALICYLIC ACID ESTERS. HENKEL KGAA (DE) 1986-01-22 — — EP disclosed
WO-1985003084-A1 UTILIZATION OF SALICYLIC ACID ESTERS AS PERFUMING SUBSTANCES, PERFUMING COMPOSITIONS CONTAINING THEM AND NEW SALICYLIC ACID ESTERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1985-07-18 — — WO disclosed
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