SCHEMBL9717364

SCHEMBL9717364

C=C(c1ccccc1OCC)c1ccccc1C(C)C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.44
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38

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 0.87 KCNK3 (0.44) ALDH1A1HPGDKCNK3KCNK9KMT2A
SCHEMBL9717390 0.82 TSHR (0.33) ALDH1A1KMT2AMEN1HTTTSHR
SCHEMBL9717414 0.81 TSHR (0.55) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL9715715 0.81 HCRTR1 (0.48) HCRTR1KDM4EALDH1A1KCNK3KCNK9
SCHEMBL9717398 0.80 KMT2A (0.47) KDM4EALDH1A1HPGDKCNK3KCNK9
SCHEMBL9717360 0.78 GABRA1 (0.40) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL9717379 0.77 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL9717389 0.77 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL9717366 0.76 LMNA (0.40) ALDH1A1HPGDKCNK3KCNK9MAPT
SCHEMBL9717372 0.74 LMNA (0.34) KDM4EALDH1A1HPGDHSD17B10KMT2A

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 3 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
EP-0311689-A1 PROCESS FOR SELECTIVELY MONOHYDROFORMYLATING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-04-19 EP disclosed