SCHEMBL9844768

SCHEMBL9844768

Cn1cc(CCCc2ccc(C(=O)O)cc2)c2c(O)nc(N)nc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.39
RARB P10826 6/20 0.39
EP300 Q09472 6/20 0.39
MBOAT4 Q96T53 1/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RARA P10276 1/20 0.38
MAPT P10636 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX3 P56373 1/20 0.36

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
SCHEMBL27709073 0.84 MBOAT4 (0.50) TBXAS1EP300MBOAT4ALDH1A1MAPT
SCHEMBL9844833 0.82 DHFR (0.60)
SCHEMBL9844798 0.81 PTGER1 (0.42) TBXAS1RARBEP300PTGER1PTGER4
SCHEMBL9045691 0.74 TYMS (0.48) RARBPTGER1PTGER4PTGER3PTGER2
SCHEMBL9844766 0.72 KDR (0.46) EP300MBOAT4
SCHEMBL9341089 0.71 CYP2D6 (0.53) TBXAS1RARBMBOAT4MEN1ALDH1A1
SCHEMBL9844802 0.70 AGTR1 (0.40) MBOAT4PTGER1PTGER4PTGER3PTGER2
SCHEMBL9338914 0.69 CYP2D6 (0.56) RARBEP300MBOAT4MEN1ALDH1A1
SCHEMBL9343568 0.68 CYP2D6 (0.55) RARBEP300MBOAT4MEN1ALDH1A1
SCHEMBL9101705 0.68 CA12 (0.67) RARBPTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP claimed
EP-0438261-A2 Condensed heterocyclic glutamic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-07-24 EP disclosed