SCHEMBL10790692

SCHEMBL10790692

O=C(O)c1cccc(CC2CCCCC2)c1O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HMGB1 P09429 1/20 0.51
▸ PPM1D O15297 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ BCL2L1 Q07817 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ ALB P02768 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ KDM5B Q9UGL1 2/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ STS P08842 1/20 0.41
▸ RARB P10826 1/20 0.40
▸ HNF4A P41235 1/20 0.40
▸ BRS3 P32247 2/20 0.40
▸ GRIK1 P39086 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
SCHEMBL30100415 0.86 CD38 (0.44) HMGB1PPM1DKMT2AKDM4E
SCHEMBL7298560 0.85 PPM1D (0.53) PPM1DALDH1A1KMT2ABCL2L1MCL1
SCHEMBL20676749 0.83 FEN1 (0.44) PPM1DALDH1A1RARB
SCHEMBL6361813 0.81 GABRA1 (0.43) PPM1DALDH1A1RARB
SCHEMBL27875069 0.80 ALDH1A1 (0.46) PPM1DALDH1A1KMT2ABCL2L1MCL1
SCHEMBL11764381 0.78 FEN1 (0.42) PPM1DALDH1A1HPGDHSD17B10MMP2
SCHEMBL547637 0.76 GRIK1 (0.58) HMGB1PPM1DALDH1A1KDM4EHPGD
SCHEMBL3647579 0.76 GRIK1 (0.58) HMGB1PPM1DALDH1A1KDM4EHPGD
SCHEMBL23628577 0.76 HMGB1 (0.53) HMGB1ALDH1A1KMT2AALBKDM4E
SCHEMBL28174259 0.75 BRS3 (0.41) PPM1DALDH1A1KMT2AKDM4EKDM5B

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 9 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-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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