SCHEMBL11088509

SCHEMBL11088509

COC(=O)c1ccccc1Sc1ccccc1NC(=O)OC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ TSHR P16473 3/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ PDE5A O76074 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 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 0.77 L3MBTL1 (0.54) KDM4EALDH1A1HSD17B10KMT2APOLB
SCHEMBL11091761 0.77 CYP1A2 (0.55) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL11094302 0.77 ALDH1A1 (0.59) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL21059267 0.76 SMN1; SMN2 (0.68) ALDH1A1HPGDNPSR1KMT2ATSHR
SCHEMBL6404705 0.75 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL9661929 0.75 HSD17B10 (0.67) KDM4EALDH1A1HSD17B10HPGDNPSR1
SCHEMBL4440485 0.75 HSD17B10 (0.64) KDM4EALDH1A1HSD17B10KMT2APOLB
SCHEMBL11125472 0.74 NPC1 (0.61) KMT2APOLBTSHRMAPTCYP1A2
SCHEMBL11092094 0.74 NPC1 (0.56) KDM4EALDH1A1HSD17B10KMT2APOLB
SCHEMBL9125545 0.73 FAAH (0.47) ALDH1A1HSD17B10KMT2APOLBTSHR

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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