SCHEMBL9717398

SCHEMBL9717398

C=C(c1ccccc1C(C)C=O)c1cccc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 1/20 0.43
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 4/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
NFE2L2 Q16236 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 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
SCHEMBL9717423 0.89 KCNK3 (0.44) KMT2AMEN1KCNK3KCNK9NPC1
SCHEMBL9715766 0.81 KMT2A (0.50) KMT2AMEN1USP2KCNK3KCNK9
SCHEMBL9717364 0.80 HCRTR1 (0.44) KMT2AMEN1USP2KCNK3KCNK9
SCHEMBL6596150 0.77 CA1 (0.48) KMT2AMEN1USP2KCNK3KCNK9
SCHEMBL9717360 0.77 GABRA1 (0.40) KMT2AMEN1NPC1ALDH1A1SMN1; SMN2
SCHEMBL9717379 0.76 KDM4E (0.45) KMT2AALDH1A1POLBHTTSMN1; SMN2
SCHEMBL9717372 0.76 LMNA (0.34) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL9717389 0.76 ALDH1A1 (0.44) KMT2AALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL9717390 0.76 TSHR (0.33) KMT2AMEN1ALDH1A1HTT
SCHEMBL9717366 0.75 LMNA (0.40) KMT2AMEN1KCNK3KCNK9NPC1

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
EP-0311689-B1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-06-10 EP disclosed
US-4982007-A CARBONYLATION CATALYST NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-01-01 US disclosed