SCHEMBL11554193

SCHEMBL11554193

O=C(O)Cc1oc2cccc-2cc1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
POLB P06746 1/20 0.40
NQO2 P16083 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
PTGS1 P23219 2/20 0.38
PPARG P37231 1/20 0.38
FABP4 P15090 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL11560133 0.91 PTGS1 (0.45) NR4A1NR4A2NR4A3POLBNQO2
SCHEMBL11706498 0.89 CA2 (0.39) NR4A1NR4A2NR4A3POLBALDH1A1
SCHEMBL11703656 0.87 ALDH1A1 (0.46) NR4A1NR4A2NR4A3CA12CA9
SCHEMBL11702889 0.84 ALDH1A1 (0.49) KDM4EALDH1A1HPGDPTGS1MAPT
SCHEMBL11700524 0.84 MAPT (0.39) PTGDR2ALDH1A1PTGS1MAPT
SCHEMBL11703435 0.83 FFAR4 (0.45) PTGDR2
SCHEMBL11707187 0.83 AR (0.42) NR4A1NR4A2NR4A3PTGDR2KDM4E
SCHEMBL11708533 0.83 PTGS2 (0.47) PTGDR2
SCHEMBL11704691 0.82 RXRA (0.41) KDM4EPTGS1FABP4
SCHEMBL11703891 0.82 PTGS1 (0.36) NR4A1NR4A2NR4A3CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4153619-A MICROBIOCIDES RIKER LABORATORIES, INC. (US) 1979-05-08 US disclosed
US-4124704-A ANTIMICROBIAL RIKER LABORATORIES, INC. (US) 1978-11-07 US disclosed
US-4013692-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS RIKER LABORATORIES, INC. (US) 1977-03-22 US disclosed