SCHEMBL28969166

SCHEMBL28969166

C[C@H](CO)c1ccnc(OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.45
TRPV3 Q8NET8 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
GABRA5 P31644 2/20 0.41
RRM1 P23921 1/20 0.39
BCHE P06276 2/20 0.39
FFAR1 O14842 1/20 0.38
CXCR2 P25025 1/20 0.38
CX3CR1 P49238 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 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
SCHEMBL24646024 1.00 ACACB (0.45) ACACBTRPV3ALDH1A1LMNAHPGD
SCHEMBL30313723 1.00 ACACB (0.45) ACACBTRPV3ALDH1A1LMNAHPGD
SCHEMBL28969194 1.00 ACACB (0.45) ACACBTRPV3ALDH1A1LMNAHPGD
SCHEMBL13154794 0.85 ACACB (0.46) ACACBALDH1A1LMNAHPGDTSHR
SCHEMBL30171098 0.85 ACACB (0.46) ACACBALDH1A1LMNAHPGDTSHR
SCHEMBL28969181 0.82 ACACB (0.44) ACACBTRPV3ALDH1A1LMNAHPGD
SCHEMBL24646682 0.79 FFAR1 (0.41) ACACBTRPV3GABRA5FFAR1GABRP
SCHEMBL30313844 0.79 FFAR1 (0.41) ACACBTRPV3GABRA5FFAR1GABRP
SCHEMBL24646681 0.79 FFAR1 (0.41) ACACBTRPV3GABRA5FFAR1GABRP
SCHEMBL30211095 0.79 FFAR1 (0.41) ACACBTRPV3GABRA5FFAR1GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867536-A GPR40 agonists 卡尔优普公司 2023-03-28 CN disclosed
CN-115667277-A GPR40 agonists 卡尔优普公司 2023-01-31 CN disclosed
EP-4110760-A1 GPR40 AGONISTS Kallyope, Inc. (US) 2023-01-04 EP disclosed
EP-4110788-A1 GPR40 AGONISTS Kallyope, Inc. (US) 2023-01-04 EP disclosed