SCHEMBL11267676

SCHEMBL11267676

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
TSHR P16473 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
ADRB2 P07550 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 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
SCHEMBL11257574 0.90 TDP1 (0.60) TDP1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL11257572 0.90 TDP1 (0.60) TDP1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL11250485 0.88 TDP1 (0.55) TDP1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL11250493 0.88 TDP1 (0.55) TDP1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL11298989 0.87 TDP1 (0.56) TDP1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL11254021 0.82 TDP1 (0.54) TDP1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL11254027 0.82 TDP1 (0.54) TDP1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL11290375 0.80 TDP1 (0.51) TDP1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL11286882 0.80 TDP1 (0.51) TDP1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL11251678 0.79 TDP1 (0.51) TDP1TSHRSMN1; SMN2MEN1KMT2A

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-4340765-A 4-Phenoxy-2-butene derivatives as plant growth regulators MALLINCKRODT BAKER, INC. 1982-07-20 US disclosed
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