SCHEMBL30542012

SCHEMBL30542012

[2H]c1cc(C(F)(F)F)ccc1-c1cccc(CO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.52
PRKCI P41743 1/20 0.49
FFAR1 O14842 4/20 0.43
ACMSD Q8TDX5 1/20 0.42
KIF11 P52732 2/20 0.42
PTPN5 P54829 2/20 0.42
MGLL Q99685 1/20 0.41
S1PR1 P21453 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
CASR P41180 1/20 0.39
MAOB P27338 1/20 0.39
ABL1 P00519 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 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
SCHEMBL30542002 0.89 AGXT (0.64) AGXTPRKCIFFAR1ACMSDKIF11
SCHEMBL2244213 0.89 AGXT (0.64) AGXTPRKCIFFAR1ACMSDKIF11
SCHEMBL10269541 0.80 PRKCI (0.53) AGXTPRKCIACMSDKIF11PTPN5
SCHEMBL2652456 0.76 AGXT (0.60) AGXTPRKCIFFAR1ACMSDKIF11
SCHEMBL4191589 0.74 PRKCI (0.72) AGXTPRKCIACMSD
SCHEMBL2257 0.73 TAAR1 (0.60) MGLLMAOB
SCHEMBL30696290 0.72 MAOB (0.64) AGXTKIF11PTPN5S1PR1RXRA
SCHEMBL894079 0.72 AGXT (0.69) AGXTKIF11PTPN5MGLLCASR
SCHEMBL3522621 0.72 AGXT (0.64) AGXTFFAR1KIF11PTPN5MGLL
SCHEMBL13761767 0.72 PRKCI (0.56) AGXTPRKCIACMSDKIF11PTPN5

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-111757770-B 3-Phenyl-4-hexynoic acid derivatives as GPR40 agonists 赛隆制药股份公司 2023-10-03 CN disclosed