SCHEMBL23163376

SCHEMBL23163376

C[C@H](NC(=O)C1(c2ccc(OCCc3ccccc3)cc2)CCOCC1)c1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ HTT P42858 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ PTGER4 P35408 6/20 0.46
▸ PTGER2 P43116 3/20 0.46
▸ FFAR1 O14842 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ RXRA P19793 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
SCHEMBL23163942 0.95 POLB (0.48) ALDH1A1POLBHTTTP53PTGER4
SCHEMBL23163938 0.95 POLB (0.48) ALDH1A1POLBHTTTP53PTGER4
SCHEMBL23164065 0.93 ALDH1A1 (0.47) ALDH1A1POLBHTTTP53FFAR1
SCHEMBL23164063 0.93 ALDH1A1 (0.47) ALDH1A1POLBHTTTP53FFAR1
SCHEMBL23163961 0.91 RXRA (0.52) ALDH1A1POLBHTTTP53RAB9A
SCHEMBL23163958 0.91 RXRA (0.52) ALDH1A1POLBHTTTP53RAB9A
SCHEMBL23163611 0.89 ALDH1A1 (0.47) ALDH1A1POLBHTTTP53FFAR1
SCHEMBL23163608 0.89 ALDH1A1 (0.47) ALDH1A1POLBHTTTP53FFAR1
SCHEMBL23163680 0.85 POLB (0.48) ALDH1A1POLBHTTTP53PTGER4
SCHEMBL27078201 0.84 ALDH1A1 (0.49) ALDH1A1POLBHTTTP53NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4038052-B1 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2024-02-07 — — EP disclosed
CN-114555573-A Prostaglandin E2(PGE2)EP4Receptor antagonists 多曼治疗学公司 2022-05-27 — — CN disclosed
WO-2021064189-A2 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2021-04-08 — — WO disclosed
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