SCHEMBL11041994

SCHEMBL11041994

CC(C)=C/C=C(\c1ccc2c(c1)OCO2)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ NQO1 P15559 1/20 0.45
▸ NPC1 O15118 6/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ SRD5A2 P31213 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 4/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ MAOB P27338 1/20 0.40

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
SCHEMBL11041996 1.00 MEN1 (0.48) MEN1KMT2AALDH1A1MAPK1NQO1
SCHEMBL11300480 0.78 MEN1 (0.50) MEN1KMT2AALDH1A1MAPK1NQO1
SCHEMBL7074497 0.73 MEN1 (0.62) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL30539184 0.72 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL9000245 0.72 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL29723925 0.72 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL20973212 0.72 MEN1 (0.54) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL11041287 0.72 CA2 (0.39) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL11041292 0.72 CA2 (0.39) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL22745597 0.70 MEN1 (0.56) MEN1KMT2AALDH1A1MAPK1NPC1

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-4485252-A INSECTICIDES AND MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-11-27 — — US disclosed
US-4344963-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-08-17 — — US disclosed
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