SCHEMBL28510969

SCHEMBL28510969

O=C(Cc1ccccc1)OC1(O)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
CYP19A1 P11511 1/20 0.48
PAM P19021 1/20 0.47
TSHR P16473 1/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
MGLL Q99685 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADRB2 P07550 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4633675 0.98 CYP19A1 (0.50) ALDH1A1L3MBTL1MAPK1CYP19A1PAM
SCHEMBL4682195 0.93 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPK1CYP19A1PAM
SCHEMBL27682051 0.92 CYP19A1 (0.46) ALDH1A1L3MBTL1MAPK1CYP19A1PAM
SCHEMBL27655982 0.87 SRD5A2 (0.48) CYP19A1FAAH
SCHEMBL27675998 0.85 CYP19A1 (0.43) ALDH1A1L3MBTL1MAPK1CYP19A1MGLL
SCHEMBL27676012 0.83 FAAH (0.46) ALDH1A1SMN1; SMN2FAAH
SCHEMBL27681878 0.81 CYP19A1 (0.41) ALDH1A1CYP19A1SMN1; SMN2KMT2A
SCHEMBL5729921 0.81 EPHX2 (0.49) ALDH1A1CYP19A1MEN1KMT2A
SCHEMBL28668672 0.80 TDP1 (0.54) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL27675987 0.77 MEN1 (0.52) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A

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 8 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