SCHEMBL11701062

SCHEMBL11701062

COc1ccc(C)c(N(CC=O)C(=O)CCl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.44
▸ ALDH1A1 P00352 9/20 0.42
▸ HTT P42858 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ RNF4 P78317 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ TP53 P04637 3/20 0.38
▸ RAB9A P51151 4/20 0.37
▸ MITF O75030 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GAA P10253 1/20 0.35

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
SCHEMBL11700155 0.82 ALDH1A1 (0.36) PAX8ALDH1A1HTTSMN1; SMN2RNF4
SCHEMBL11704132 0.81 ALDH1A1 (0.39) PAX8ALDH1A1HTTSMN1; SMN2GLA
SCHEMBL11697095 0.80 ALDH1A1 (0.41) PAX8ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL11697994 0.78 ALDH1A1 (0.44) PAX8ALDH1A1HTTSMN1; SMN2TP53
SCHEMBL11702116 0.78 NNMT (0.37) ALDH1A1SMN1; SMN2KDM4ETP53RAB9A
SCHEMBL11872117 0.77 ALDH1A1 (0.59) PAX8ALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL11870671 0.76 ALDH1A1 (0.39) PAX8ALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL11703111 0.74 ALDH1A1 (0.50) PAX8ALDH1A1TP53RAB9ANPC1
SCHEMBL11866789 0.73 ALDH1A1 (0.39) PAX8ALDH1A1HTTSMN1; SMN2GLA
SCHEMBL11873489 0.73 ALDH1A1 (0.39) PAX8ALDH1A1HTTSMN1; SMN2KDM4E

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-4046554-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-09-06 — — US disclosed
US-3966811-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-06-29 — — US disclosed
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