SCHEMBL11298989

SCHEMBL11298989

COC(=O)/C(C)=C/COc1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
TSHR P16473 2/20 0.56
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.50
MRGPRX4 Q96LA9 2/20 0.48
ADRB2 P07550 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL11267676 0.87 TDP1 (0.58) TDP1TSHRMAPTSMN1; SMN2MEN1
SCHEMBL11257574 0.86 TDP1 (0.60) TDP1TSHRMAPTSMN1; SMN2MEN1
SCHEMBL11257572 0.86 TDP1 (0.60) TDP1TSHRMAPTSMN1; SMN2MEN1
SCHEMBL11250485 0.84 TDP1 (0.55) TDP1TSHRMAPTSMN1; SMN2MEN1
SCHEMBL11250493 0.84 TDP1 (0.55) TDP1TSHRMAPTSMN1; SMN2MEN1
SCHEMBL11254021 0.78 TDP1 (0.54) TDP1TSHRMAPTSMN1; SMN2MEN1
SCHEMBL11254027 0.78 TDP1 (0.54) TDP1TSHRMAPTSMN1; SMN2MEN1
SCHEMBL11286882 0.77 TDP1 (0.51) TDP1TSHRMAPTSMN1; SMN2MEN1
SCHEMBL11290375 0.77 TDP1 (0.51) TDP1TSHRMAPTSMN1; SMN2MEN1
2,4-Dichlorophenoxyacetic Acid, Methyl Ester SCHEMBL5004223 0.76 MAPT (0.70) TDP1TSHRMAPTSMN1; SMN2MEN1

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
EP-0046282-A2 4-Phenoxy-2-butene derivatives and their use as plant growth regulators J.T. Baker Chemical Co. (US) 1982-02-24 EP disclosed