SCHEMBL11396237

SCHEMBL11396237

CC(C)(CCl)C(=O)C(Br)Oc1ccccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
ADRB2 P07550 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ADRB1 P08588 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37

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
SCHEMBL11539614 0.84 ADRB2 (0.38) L3MBTL1ADRB2TDP1ADRB1ALDH1A1
SCHEMBL11390990 0.82 HPGD (0.36) L3MBTL1TDP1KDM4ELMNAMEN1
SCHEMBL11272091 0.81 L3MBTL1 (0.39) L3MBTL1ADRB2TDP1ADRB1ALDH1A1
SCHEMBL11214408 0.80 MTNR1A (0.39) L3MBTL1ALDH1A1PKMMEN1KMT2A
SCHEMBL11385721 0.80 S1PR3 (0.39) L3MBTL1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL11398516 0.77 PTGDR2 (0.47) USP2MEN1KMT2A
SCHEMBL11355923 0.72 ALDH1A1 (0.41) L3MBTL1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL11398917 0.72 LMNA (0.39) L3MBTL1TDP1SMN1; SMN2LMNAMAPK1
SCHEMBL11389688 0.71 TSHR (0.51) TDP1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL11292911 0.71 PPARA (0.41) MAPTMEN1KMT2APPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4255434-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-03-10 US disclosed