SCHEMBL9377338

SCHEMBL9377338

ON=C(COCc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NAAA Q02083 1/20 0.40
MAPT P10636 1/20 0.40
CA1 P00915 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
GRM5 P41594 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL7908828 0.87 NR4A1 (0.55) NPC1RAB9ASLC6A2SLC6A3KMT2A
SCHEMBL29183337 0.86 SMN1; SMN2 (0.56) NPC1RAB9ATDP1CA1ALDH1A1
SCHEMBL6672244 0.82 GRIN1 (0.46) TSHRNPC1KMT2ATDP1MAPT
SCHEMBL9461007 0.81 FFAR1 (0.48) TSHRNPC1RAB9ASLC6A2SLC6A3
SCHEMBL7723695 0.76 GAA (0.42) TSHRRAB9AKMT2AMAPTCA1
SCHEMBL24102739 0.76 TSHR (0.52) TSHRNPC1RAB9ASLC6A2SLC6A3
SCHEMBL33524778 0.76 TSHR (0.52) TSHRNPC1RAB9ASLC6A2SLC6A3
SCHEMBL3966940 0.75 ATM (0.47) TSHRRAB9AKMT2AMAPTGAA
SCHEMBL27209008 0.75 ATM (0.47) TSHRRAB9AKMT2AMAPTGAA
SCHEMBL4586154 0.74 CTSL (0.55) TSHRSMN1; SMN2KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
EP-0292699-B1 Urea based lipoxygenase inhibiting compounds ABBOTT LAB (US) 1994-03-23 EP disclosed
US-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 WO disclosed
EP-0292699-A2 Urea based lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1988-11-30 EP disclosed