SCHEMBL11094302

SCHEMBL11094302

COC(=O)c1ccccc1Sc1ccccc1NC(=O)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.59
▸ KDM4E B2RXH2 4/20 0.59
▸ HPGD P15428 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ ATM Q13315 2/20 0.57
▸ GAA P10253 2/20 0.57
▸ GLA P06280 1/20 0.57
▸ TSHR P16473 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PKLR P30613 1/20 0.43

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
SCHEMBL11091481 0.85 L3MBTL1 (0.54) ALDH1A1KDM4EATMGAATSHR
SCHEMBL3783571 0.84 KDM4E (0.78) ALDH1A1KDM4EHPGDCYP1A2ATM
SCHEMBL11091761 0.82 CYP1A2 (0.55) ALDH1A1KDM4EHPGDCYP1A2GAA
SCHEMBL11092094 0.81 NPC1 (0.56) ALDH1A1KDM4ECYP1A2GAATSHR
SCHEMBL9028 0.80 TDP1 (0.60) ALDH1A1HPGDCYP1A2ATMGLA
SCHEMBL4440485 0.80 HSD17B10 (0.64) ALDH1A1KDM4EATMGAAGLA
SCHEMBL2546392 0.77 L3MBTL1 (0.61) ALDH1A1HPGDATMGLATDP1
SCHEMBL11088509 0.77 KDM4E (0.49) ALDH1A1KDM4EHPGDCYP1A2GAA
SCHEMBL1568658 0.75 L3MBTL1 (0.61) ALDH1A1KDM4EHPGDCYP1A2ATM
SCHEMBL28173861 0.75 TDP1 (0.54) ALDH1A1KDM4EHPGDCYP1A2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4469874-A ALKYL THIOSALICYLATES MONSANTO COMPANY (US) 1984-09-04 — — US disclosed
US-4283508-A Fragrant prevulcanization inhibitors MONSANTO COMPANY (US) 1981-08-11 — — US disclosed
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