SCHEMBL7975341

SCHEMBL7975341

[CH2]C(CC)Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ TP53 P04637 1/20 0.33

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
SCHEMBL5329191 0.79 PPARG (0.46) SMN1; SMN2PKMLMNAPAX8ALOX5
SCHEMBL11429798 0.78 TSHR (0.45) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL3688482 0.77 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL5174689 0.76 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL6845929 0.76 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL11365097 0.75 ALOX5 (0.34) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL1453904 0.74 L3MBTL1 (0.45) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL1453376 0.73 MAOA (0.41) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL9601062 0.73 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL10455674 0.73 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001064644-A1 DICHLOROPYRIDYL- AND DICHLOROISOTHIAZOLYL-THIOCARBOXAMIDES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-09-07 — — WO disclosed
EP-0628026-B1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AG (DE) 1997-01-22 — — EP disclosed
EP-0628026-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE. BASF AG (DE) 1994-12-14 — — EP disclosed
WO-1993016985-A1 CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-09-02 — — WO disclosed
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