SCHEMBL28067611

SCHEMBL28067611

O=C(O)C1CCC(CC2CC=CCC2)(C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.35
ALDH1A1 P00352 6/20 0.35
TDP1 Q9NUW8 4/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33
GRM4 Q14833 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALOX15 P16050 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRM5 P41594 1/20 0.33
MTOR P42345 1/20 0.33
GRM1 Q13255 1/20 0.33
PLCB1 Q9NQ66 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1123773 0.80 KDM4E (0.35) KDM4EALDH1A1TDP1PKMMEN1
SCHEMBL17092523 0.77 KDM4E (0.36) KDM4EALDH1A1TDP1PKMMEN1
SCHEMBL28432962 0.69 KDM4E (0.36) KDM4EALDH1A1TDP1PKMMEN1
SCHEMBL28353604 0.69 KDM4E (0.36) KDM4EALDH1A1TDP1PKMMEN1
SCHEMBL7605633 0.68 TSHR (0.48) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL16875354 0.68 CYP2C19 (0.42) KDM4EALDH1A1TDP1GRM2GRM3
SCHEMBL16875355 0.68 CYP2C19 (0.42) KDM4EALDH1A1TDP1GRM2GRM3
SCHEMBL16922155 0.66
SCHEMBL468425 0.66
SCHEMBL468428 0.66

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-103787887-B The manufacture method of polybasic carboxylic acid and compositions, hardening resin composition, solidfied material and polybasic carboxylic acid 日本化药株式会社 2016-06-22 CN disclosed