SCHEMBL8038758

SCHEMBL8038758

O=C(O)C(=C1CCCC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
MCL1 Q07820 1/20 0.43
CES1 P23141 3/20 0.42
CES2 O00748 2/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 3/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
PARP1 P09874 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 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
SCHEMBL7743123 0.98 HPGD (0.42) HSD17B10MCL1CES1CES2TSHR
Styrene SCHEMBL7644357 0.85 ALDH1A1 (0.44) HSD17B10MCL1TSHRALDH1A1KMT2A
SCHEMBL8148544 0.79 AKT1 (0.47) HSD17B10MCL1CES1CES2TSHR
SCHEMBL12751027 0.74 SETD7 (0.40) HSD17B10ALDH1A1HPGDBLMMAPK1
SCHEMBL1144315 0.74 RAB9A (0.56) HSD17B10MCL1CES1CES2TSHR
SCHEMBL11730697 0.74 LCK (0.50) CES1CES2ALDH1A1DAOKMT2A
SCHEMBL9115488 0.71 CES2 (0.50) MCL1CES1CES2TSHRALDH1A1
SCHEMBL12143976 0.71 CES2 (0.54) MCL1CES1CES2TSHRDAO
SCHEMBL180560 0.70 CHRM2 (0.57) KMT2AHPGDLMNA
SCHEMBL9558631 0.69 AKT1 (0.50) HSD17B10CES1CES2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112129849-B Method for detecting phenylacetic acid and 2-cyclopentylidene-2-phenylacetic acid in (1-hydroxycyclopentyl) phenylacetic acid 山东绅联生物科技有限公司 2022-09-09 CN claimed
CN-112129849-A Method for detecting phenylacetic acid and 2-cyclopentylidene-2-phenylacetic acid in (1-hydroxycyclopentyl) phenylacetic acid 山东绅联生物科技有限公司 2020-12-25 CN claimed
CN-112129849-B Method for detecting phenylacetic acid and 2-cyclopentylidene-2-phenylacetic acid in (1-hydroxycyclopentyl) phenylacetic acid 山东绅联生物科技有限公司 2022-09-09 CN disclosed
CN-112129849-B Method for detecting phenylacetic acid and 2-cyclopentylidene-2-phenylacetic acid in (1-hydroxycyclopentyl) phenylacetic acid 山东绅联生物科技有限公司 2022-09-09 CN disclosed
CN-112129849-B Method for detecting phenylacetic acid and 2-cyclopentylidene-2-phenylacetic acid in (1-hydroxycyclopentyl) phenylacetic acid 山东绅联生物科技有限公司 2022-09-09 CN disclosed
CN-112129849-A Method for detecting phenylacetic acid and 2-cyclopentylidene-2-phenylacetic acid in (1-hydroxycyclopentyl) phenylacetic acid 山东绅联生物科技有限公司 2020-12-25 CN disclosed
CN-112129849-A Method for detecting phenylacetic acid and 2-cyclopentylidene-2-phenylacetic acid in (1-hydroxycyclopentyl) phenylacetic acid 山东绅联生物科技有限公司 2020-12-25 CN disclosed
CN-112129849-A Method for detecting phenylacetic acid and 2-cyclopentylidene-2-phenylacetic acid in (1-hydroxycyclopentyl) phenylacetic acid 山东绅联生物科技有限公司 2020-12-25 CN disclosed
WO-2000076514-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
WO-2000076513-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed