SCHEMBL9717366

SCHEMBL9717366

C=C(c1ccccc1)c1ccccc1C(C)C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 3/20 0.40
XBP1 P17861 1/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RXRA P19793 1/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
AKT1 P31749 1/20 0.32
CAPN1 P07384 1/20 0.32

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
SCHEMBL9717389 0.84 ALDH1A1 (0.44) LMNASMN1; SMN2NPSR1MAPTXBP1
SCHEMBL6547364 0.82 GABRA1 (0.45) LMNASMN1; SMN2NPSR1MAPTXBP1
SCHEMBL9717360 0.82 GABRA1 (0.40) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL9717390 0.81 TSHR (0.33) KMT2AMEN1ALDH1A1GABRA1CAPN1
SCHEMBL9717423 0.80 KCNK3 (0.44) SMN1; SMN2XBP1KMT2AMEN1ALDH1A1
SCHEMBL19921983 0.79 ALDH1A1 (0.48) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL2220688 0.79 ALDH1A1 (0.48) LMNASMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL9717372 0.78 LMNA (0.34) LMNAATMKMT2AMEN1ALDH1A1
SCHEMBL9717379 0.78 KDM4E (0.45) LMNASMN1; SMN2MAPTATMKMT2A
SCHEMBL9632497 0.78 PTGS2 (0.47) LMNASMN1; SMN2NPSR1MAPTXBP1

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 8 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 claimed
US-4982007-A CARBONYLATION CATALYST NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-01-01 US claimed
EP-0311689-A1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-04-19 EP claimed
JP-1013048-A None JP disclosed
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
EP-0311689-A1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-04-19 EP disclosed
JP-S6413048-A PRODUCTION OF ((1-PHENYLETHENYL) PHENYL) PROPIONALDEHYDE NIPPON PETROCHEMICALS CO LTD 1989-01-17 JP disclosed