SCHEMBL9846357

SCHEMBL9846357

CCCOOC(=O)C(=C(OC)Oc1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 3/20 0.38
NR1H4 Q96RI1 1/20 0.38
ELANE P08246 1/20 0.38
CYP1A2 P05177 1/20 0.37
FAAH O00519 6/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KAT6A Q92794 1/20 0.36
NLRP3 Q96P20 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL28760907 0.81 TSHR (0.46) KMT2AMAPTALDH1A1RAB9AELANE
SCHEMBL6206065 0.77 TSHR (0.47) KMT2AMAPTALDH1A1RAB9AELANE
SCHEMBL9846395 0.75 MAPT (0.39) MAPTELANECYP1A2TSHRSMN1; SMN2
SCHEMBL437271 0.70 LMNA (0.67) KMT2AMAPTALDH1A1MEN1THRB
SCHEMBL27720396 0.70 ELANE (0.47) KMT2AMAPTALDH1A1MEN1THRB
SCHEMBL9846365 0.69 LMNA (0.45) KMT2AMAPTALDH1A1MEN1THRB
SCHEMBL9846360 0.69 LMNA (0.43) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL3711419 0.69 LMNA (0.61) KMT2AMAPTALDH1A1MEN1THRB
SCHEMBL6206489 0.69 NPC1 (0.45) KMT2AMAPTALDH1A1MEN1LMNA
SCHEMBL2517920 0.69 LMNA (0.65) KMT2AMAPTALDH1A1MEN1THRB

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-0415569-A2 Agrochemical compositions ZENECA LIMITED (GB) 1991-03-06 EP disclosed