SCHEMBL29707553

SCHEMBL29707553

COc1ccc(CCC(=O)OC(C)(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.42
NNMT P40261 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
ACACB O00763 1/20 0.39
CHRM1 P11229 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM2 Q14416 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
FFAR1 O14842 1/20 0.38
P4HTM Q9NXG6 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
SCHEMBL17665727 0.85 MTNR1A (0.49) NNMTMTNR1AMTNR1BMEN1KMT2A
SCHEMBL5760402 0.85 KDM4E (0.47) GPR183NNMTMEN1KMT2AKDM4E
SCHEMBL15931171 0.84 DAO (0.46) ACACBFFAR1P4HTM
SCHEMBL20665279 0.82 CYP24A1 (0.49) GPR183NNMTMEN1KMT2AKDM4E
SCHEMBL4130730 0.81 F2 (0.52) NNMTSMN1; SMN2P4HTM
SCHEMBL6307266 0.81 CYP4F2 (0.56) GPR183NNMTMEN1KMT2AKDM4E
SCHEMBL29702259 0.81 CYP4F2 (0.56) GPR183NNMTMEN1KMT2AKDM4E
SCHEMBL29886594 0.80 P4HTM (0.58) GPR183NNMTMEN1KMT2ANPC1
SCHEMBL6069860 0.80 P4HTM (0.58) GPR183NNMTMEN1KMT2ANPC1
SCHEMBL10982252 0.79 CYP4F2 (0.50) MTNR1AMTNR1BKMT2AFFAR1

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
CN-114805342-A Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and use thereof 赛弗卢尔生命科学公司 2022-07-29 CN disclosed