SCHEMBL7930880

SCHEMBL7930880

CCCCCCCCOc1c(F)c2c(c(F)c1Nc1cccc(C(=O)OCCCC)c1)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
CNR2 P34972 1/20 0.41
ESR1 P03372 3/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.40
PPARA Q07869 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL7930631 0.95 SMN1; SMN2 (0.49) SMN1; SMN2NPC1HPGDRAB9ACYP1A2
SCHEMBL7929768 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1HPGDRAB9ACYP1A2
SCHEMBL7921343 0.91 SMN1; SMN2 (0.47) SMN1; SMN2NPC1HPGDRAB9ACYP1A2
SCHEMBL7933212 0.91 SMN1; SMN2 (0.54) SMN1; SMN2NPC1HPGDRAB9ACYP1A2
SCHEMBL7930660 0.89 STS (0.47) SMN1; SMN2NPC1HPGDRAB9ACYP1A2
SCHEMBL7921281 0.89 SMN1; SMN2 (0.52) SMN1; SMN2NPC1HPGDRAB9ACYP1A2
SCHEMBL7933319 0.89 SMN1; SMN2 (0.48) SMN1; SMN2NPC1HPGDRAB9ACYP1A2
SCHEMBL7929952 0.83 MAPT (0.49) SMN1; SMN2NPC1HPGDRAB9AKMT2A
SCHEMBL7933041 0.81 PDE4B (0.38)
SCHEMBL7929927 0.81 SMN1; SMN2 (0.55) SMN1; SMN2NPC1HPGDRAB9ACYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 EP disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 EP disclosed