SCHEMBL9622180

SCHEMBL9622180

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ HPGD P15428 6/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.49
▸ USP2 O75604 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL10885494 0.88 MAPT (0.59) CYP2C19SMN1; SMN2LMNAHPGDTDP1
SCHEMBL9621935 0.82 CYP2C19 (0.64) CYP2C19SMN1; SMN2LMNAHPGDCYP3A4
SCHEMBL8400817 0.79 CYP2C19 (0.60) CYP2C19SMN1; SMN2LMNAHPGDKDM4E
SCHEMBL11537189 0.78 CYP2C19 (0.68) CYP2C19SMN1; SMN2LMNAHPGDCYP3A4
SCHEMBL5935770 0.78 CYP2C19 (0.68) CYP2C19SMN1; SMN2LMNAHPGDCYP3A4
SCHEMBL3859999 0.78 TDP1 (0.61) SMN1; SMN2HPGDTDP1CYP3A4KMT2A
SCHEMBL44801 0.77 CYP2C19 (1.00) CYP2C19SMN1; SMN2LMNAHPGDTDP1
SCHEMBL28667334 0.77 CYP3A4 (0.56) CYP2C19SMN1; SMN2LMNAHPGDTDP1
SCHEMBL9775108 0.76 CYP2C19 (0.60) CYP2C19SMN1; SMN2LMNAHPGDKMT2A
SCHEMBL824471 0.75 ALDH1A1 (0.66) CYP2C19SMN1; SMN2LMNAHPGDTDP1

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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