SCHEMBL7681923

SCHEMBL7681923

Cc1ccc(C)c2ncc(C(=O)O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
P4HA1 P13674 2/20 0.44
P4HTM Q9NXG6 2/20 0.44
MIF P14174 1/20 0.44
PSMD14 O00487 1/20 0.44
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
MGAM O43451 1/20 0.42
TSHR P16473 2/20 0.41
SLC22A12 Q96S37 3/20 0.40
HSD17B10 Q99714 2/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39

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
SCHEMBL9394153 0.84 CA12 (0.46) KDM4EL3MBTL1PKMP4HTMTSHR
SCHEMBL9907496 0.77 CCR1 (0.47) ALDH1A1KDM4EL3MBTL1MEN1GLA
SCHEMBL9353615 0.76 MGAM (0.56) ALDH1A1KDM4EPKMP4HA1P4HTM
SCHEMBL9023423 0.76 PSMD14 (0.65) KDM4EMEN1KMT2AP4HA1P4HTM
Hydrochloric Acid SCHEMBL23112333 0.75 MGAM (0.54) ALDH1A1KDM4EPKMP4HA1P4HTM
SCHEMBL10466302 0.74 PSMD14 (0.42) ALDH1A1KDM4EMEN1KMT2AP4HA1
SCHEMBL2203766 0.73 PSMD14 (0.45) ALDH1A1KDM4EL3MBTL1P4HA1P4HTM
SCHEMBL10466178 0.73 PSMD14 (0.45) ALDH1A1KDM4EL3MBTL1P4HA1P4HTM
SCHEMBL20928236 0.72 CCR1 (0.52) ALDH1A1KDM4EL3MBTL1MEN1GLA
SCHEMBL13921627 0.72 GPR35 (0.39) ALDH1A1KDM4EMEN1KMT2APSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7070110-A None JP disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 US disclosed
JP-H0770110-A 5,8-DIMETHYLQUINOLINE-3-CARBOXYLIC ACID DERIVATIVE HOKURIKU SEIYAKU CO LTD 1995-03-14 JP disclosed
JP-H00770110-A 0001-01-01 JP disclosed