SCHEMBL11237745

SCHEMBL11237745

CC(C)(C)c1cc(Cl)c2c(c1)-c1ccccc1P(=O)(O)O2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.38
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
GLA P06280 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL2434912 0.86 GPR84 (0.39) GPR84NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL2434038 0.85 GPR84 (0.38) GPR84NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL11238124 0.82 GPR84 (0.38) GPR84
SCHEMBL11235989 0.80 GPR84 (0.33) GPR84
SCHEMBL2429045 0.79 GPR84 (0.37) GPR84NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL2427175 0.77 PTPN5 (0.33) GPR84NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL11230572 0.77 AHR (0.34) GPR84NPC1ALDH1A1RAB9ASENP8
SCHEMBL2432936 0.77 ALDH1A1 (0.44) GPR84NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL11235608 0.75 PTPN1 (0.35) GPR84NPC1ALDH1A1RAB9A
SCHEMBL2432178 0.73 CA2 (0.35) GPR84ALDH1A1

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-4317769-A ALKALI OR ALKALINE METAL SALTS OF 9,10-DIHYDRO-9-HYDROXY-9-PHOSPHA-10 OXAPHENANTHRENE-9-OXIDE;PLASTICS SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1982-03-02 US disclosed