SCHEMBL8993299

SCHEMBL8993299

O=C(Nc1ccc(C(=O)O)cc1)OSCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 6/20 0.40
FFAR1 O14842 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL608997 0.82 EPHX2 (0.48) EPHX2ALDH1A1FFAR1KMT2AMEN1
SCHEMBL8993314 0.81 NPC1 (0.49) EPHX2ALDH1A1KMT2AMEN1MAPT
SCHEMBL8993272 0.81 NPC1 (0.48) EPHX2ALDH1A1KMT2AMEN1LMNA
SCHEMBL29561956 0.80 EPHX2 (0.63) EPHX2ALDH1A1KMT2A
SCHEMBL29401210 0.80 EPHX2 (0.63) EPHX2ALDH1A1KMT2A
SCHEMBL118052 0.80 EPHX2 (0.63) EPHX2ALDH1A1KMT2A
SCHEMBL7913189 0.77 EPHX2 (0.59) EPHX2ALDH1A1PKMKMT2ARAB9A
SCHEMBL608667 0.71 EPHX2 (0.46) EPHX2ALDH1A1KMT2AMEN1RAB9A
SCHEMBL14879254 0.70 PPARA (0.50) ALDH1A1POLB
SCHEMBL178731 0.70 KMT2A (0.57) EPHX2KMT2AGAA

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
US-5519043-A ANTIINFLAMMATORY AGENTS WITH AMIDE, CARBAMATE OR THIOCARBAMATE GROUPS ON FLUORENE AND BENZENE SCIOS NOVA INC. (US) 1996-05-21 US claimed
US-5519043-A ANTIINFLAMMATORY AGENTS WITH AMIDE, CARBAMATE OR THIOCARBAMATE GROUPS ON FLUORENE AND BENZENE SCIOS NOVA INC. (US) 1996-05-21 US disclosed