SCHEMBL10898569

SCHEMBL10898569

O=CCCCCCCCCCCCCCCCCCc1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.48
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
PPARA Q07869 2/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
PPARG P37231 1/20 0.42
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
LCK P06239 1/20 0.40
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
CDK1 P06493 1/20 0.40
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL11069977 0.88 PPARA (0.48) KAT8PPARAPPARGTDP1IGF1R
SCHEMBL4128840 0.88 ALDH1A1 (0.50) KAT8ALDH1A1TP53MRGPRX4TDP1
SCHEMBL11120604 0.84 KAT8 (0.68) KAT8ALDH1A1PPARAPPARGTDP1
SCHEMBL11485420 0.82 TSHR (0.47) KAT8ALDH1A1PPARAPPARGTDP1
SCHEMBL10898270 0.82 KAT8 (0.70) KAT8ALDH1A1PPARAPPARGMAPT
SCHEMBL5539478 0.81 IGF1R (0.54) ALDH1A1TP53MAPTIGF1RALOX15
SCHEMBL5545868 0.79 IGF1R (0.56) ALDH1A1TP53MAPTIGF1RALOX15
SCHEMBL664212 0.76 ALDH1A1 (0.55) KAT8ALDH1A1TP53MRGPRX4TDP1
SCHEMBL22032180 0.75 TSHR (0.50) ALDH1A1TP53PPARAPPARGTDP1
SCHEMBL15809160 0.75 MRGPRX4 (0.48) KAT8ALDH1A1TP53PPARAMRGPRX4

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-0126372-B1 HALOGENATED PROTEASE INHIBITORS G.D. Searle & Co. (US) 1986-07-16 EP disclosed
EP-0126372-A1 Halogenated protease inhibitors G.D. Searle & Co. (US) 1984-11-28 EP disclosed