SCHEMBL9621827

SCHEMBL9621827

CC(=O)CC(=O)CCCSc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
MTNR1A P48039 4/20 0.56
MTNR1B P49286 4/20 0.56
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 2/20 0.55
LMNA P02545 2/20 0.54
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL9621821 0.93 HDAC1 (0.65) ALDH1A1MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL9463394 0.88 ALDH1A1 (0.73) ALDH1A1MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL27271335 0.87 ALDH1A1 (0.72) ALDH1A1MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL27271332 0.84 ALDH1A1 (0.68) ALDH1A1MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL9185237 0.83 ALDH1A1 (0.62) ALDH1A1MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL14188713 0.82 ALDH1A1 (0.65) ALDH1A1MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL25038326 0.81 ALDH1A1 (0.58) ALDH1A1MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL1932191 0.80 ALDH1A1 (1.00) ALDH1A1MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL6912718 0.80 ALDH1A1 (0.60) ALDH1A1MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL20545193 0.79 ALDH1A1 (0.66) ALDH1A1MTNR1AMTNR1BHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307358-B1 1,3-DIKETONES CONTAINING ETHERS OR THIOETHERS AND THEIR USE AS STABILISING AGENTS IN CHLORINATED POLYMERS CIBA-GEIGY AG (CH) 1992-02-12 EP claimed
US-4992504-A Heat resistance, photostability CIBA-GEIGY CORPORATION (US) 1991-02-12 US claimed
EP-0307358-B1 1,3-DIKETONES CONTAINING ETHERS OR THIOETHERS AND THEIR USE AS STABILISING AGENTS IN CHLORINATED POLYMERS CIBA-GEIGY AG (CH) 1992-02-12 EP disclosed
US-4992504-A Heat resistance, photostability CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
EP-0307358-A1 1,3-Diketones containing ethers or thioethers and their use as stabilising agents in chlorinated polymers CIBA-GEIGY AG (CH) 1989-03-15 EP disclosed