SCHEMBL9622305

SCHEMBL9622305

CC(=O)C(C(=O)CCSCc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MDM2 Q00987 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ PTGER1 P34995 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ PTGER3 P43115 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL9621828 0.79 CYP2C19 (0.50) CYP2C19SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL5935700 0.76 CYP2C19 (0.72) CYP2C19SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL11535371 0.75 CYP2C19 (0.66) CYP2C19SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL600051 0.74 TDP1 (0.52) CYP2C19SMN1; SMN2LMNAMDM2ALDH1A1
SCHEMBL2853917 0.74 TDP1 (0.52) CYP2C19SMN1; SMN2LMNAMDM2ALDH1A1
SCHEMBL44801 0.72 CYP2C19 (1.00) CYP2C19SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL31412096 0.72 TDP1 (0.50) CYP2C19SMN1; SMN2LMNAMDM2ALDH1A1
SCHEMBL11607787 0.72 TDP1 (0.50) SMN1; SMN2LMNAMDM2ALDH1A1HPGD
SCHEMBL27899184 0.72 TDP1 (0.50) CYP2C19SMN1; SMN2LMNAMDM2ALDH1A1
SCHEMBL29251170 0.72 TDP1 (0.50) CYP2C19SMN1; SMN2LMNAMDM2ALDH1A1

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 3 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 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
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