SCHEMBL8800003

SCHEMBL8800003

Cc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1C(=C=O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
THRB P10828 2/20 0.41
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
GHSR Q92847 2/20 0.37

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
SCHEMBL7827224 0.81 KDM4E (0.49) ALDH1A1TSHRKDM4EHSD17B10CNR1
SCHEMBL8345547 0.79 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EHSD17B10CNR1
SCHEMBL7826306 0.78 GAA (0.45) ALDH1A1THRBKMT2ANPSR1POLB
SCHEMBL7831814 0.76 RAB9A (0.42) ALDH1A1THRBKMT2ANPSR1POLB
SCHEMBL7829002 0.76 RAB9A (0.48) ALDH1A1TSHRCNR1CNR2KMT2A
SCHEMBL8800008 0.76 P2RX7 (0.42) ALDH1A1TSHRKDM4EHSD17B10CNR1
SCHEMBL7823933 0.75 MAPT (0.48) ALDH1A1THRBKMT2ANPSR1POLB
SCHEMBL8341651 0.75 RAB9A (0.45) ALDH1A1TSHRKDM4EHSD17B10CNR1
SCHEMBL7828069 0.75 GPR35 (0.46) ALDH1A1KDM4EKMT2ANPSR1POLB
SCHEMBL8341922 0.75 GPR35 (0.42) ALDH1A1THRBKMT2ANPSR1POLB

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
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed