SCHEMBL28678691

SCHEMBL28678691

O=C(O)[C@H]1CC1c1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
DEGS1 O15121 1/20 0.46
HDAC4 P56524 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SLC9A1 P19634 1/20 0.43

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
SCHEMBL25169879 1.00 FFAR1 (0.50) FFAR1HTR2AHTR2CHTR2BCHRNB4
SCHEMBL4775489 1.00 FFAR1 (0.50) FFAR1HTR2AHTR2CHTR2BCHRNB4
SCHEMBL28669621 1.00 FFAR1 (0.50) FFAR1HTR2AHTR2CHTR2BCHRNB4
SCHEMBL8013432 0.83 MGLL (0.46) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL29302377 0.82 AKR1C3 (0.51) FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL24739852 0.82 AKR1C3 (0.51) FFAR1HDAC4ALDH1A1SLC9A1
SCHEMBL6934584 0.81 CHRNB4 (0.48) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL23116570 0.81 FFAR1 (0.65) FFAR1HTR2AHTR2CHTR2BHDAC4
SCHEMBL4134734 0.81 KDM1A (0.56) FFAR1HTR2AHTR2CHTR2BHDAC4
SCHEMBL24737484 0.81 SLC9A1 (0.64) FFAR1HTR2AHTR2CHTR2BHDAC4

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-113614089-A Novel morphinans useful for treating medical conditions 人福医药美国公司 2021-11-05 CN disclosed