SCHEMBL7314596

SCHEMBL7314596

CCCCCCOc1ccc(-c2ccc(-c3nnc(-c4ccc(C(=O)O)cc4)o3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.78
TSHR P16473 2/20 0.70
TP53 P04637 1/20 0.70
PLA2G4B P0C869 7/20 0.68
NR1H4 Q96RI1 1/20 0.64
PLA2G4A P47712 1/20 0.62
PTPN11 Q06124 2/20 0.61
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
HSD17B10 Q99714 1/20 0.60
PLA2G2A P14555 1/20 0.55

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
SCHEMBL8087307 1.00 RARB (0.78) RARBTSHRTP53PLA2G4BNR1H4
SCHEMBL7342728 0.99 RARB (0.75) RARBTSHRTP53PLA2G4BNR1H4
SCHEMBL7331833 0.99 RARB (0.75) RARBTSHRTP53PLA2G4BNR1H4
SCHEMBL7323408 0.99 RARB (0.75) RARBTSHRTP53PLA2G4BNR1H4
SCHEMBL7323297 0.96 RARB (0.70) RARBTSHRTP53PLA2G4BNR1H4
SCHEMBL12171578 0.95 NR1H4 (0.70) RARBTSHRTP53PLA2G4BNR1H4
SCHEMBL7338309 0.91 NR1H4 (0.68) RARBTSHRTP53PLA2G4BNR1H4
SCHEMBL7323524 0.90 NR1H4 (0.64) RARBTSHRTP53PLA2G4BNR1H4
SCHEMBL12171858 0.90 NR1H4 (0.70) RARBTSHRTP53PLA2G4BNR1H4
SCHEMBL7341743 0.89 NR1H4 (0.65) RARBTSHRTP53PLA2G4BNR1H4

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
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed