SCHEMBL7666906

SCHEMBL7666906

CC=C(C(=O)OC)c1cccc(Cl)c1CBr

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
AKR1B1 P15121 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.35
CD38 P28907 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL7477841 0.89 KMT2A (0.37) KMT2AALDH1A1MAPTAKR1B1SMN1; SMN2
SCHEMBL31607669 0.89 KMT2A (0.37) KMT2AALDH1A1MAPTAKR1B1SMN1; SMN2
SCHEMBL31607676 0.89 KMT2A (0.37) KMT2AALDH1A1MAPTAKR1B1SMN1; SMN2
SCHEMBL27208812 0.89 KMT2A (0.37) KMT2AALDH1A1MAPTAKR1B1SMN1; SMN2
SCHEMBL7666900 0.89 KMT2A (0.37) KMT2AALDH1A1MAPTAKR1B1SMN1; SMN2
SCHEMBL1035578 0.80 NR4A2 (0.48) KMT2AALDH1A1MAPTAKR1B1TSHR
SCHEMBL7659211 0.79 PTGS2 (0.44) KMT2AALDH1A1MAPTTSHRCYP3A4
SCHEMBL27208811 0.79 AKR1B1 (0.39) KMT2AALDH1A1MAPTAKR1B1SMN1; SMN2
SCHEMBL27208790 0.78 HIF1A (0.47) KMT2AALDH1A1MAPTAKR1B1SMN1; SMN2
SCHEMBL8347418 0.78 HIF1A (0.47) KMT2AALDH1A1MAPTAKR1B1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380231-B1 FOR CONTROLLING ANIMAL AND FUNGAL PESTS BASF AKTIENGESELLSCAHFT (DE) 2002-04-30 US disclosed
US-5935986-A PESTICIDES, FUNGICIDES; ETHERIFICATION BASF AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed