SCHEMBL23164169

SCHEMBL23164169

CC(C)Oc1cccc(C2(C(=O)NC(C)c3ccc(C(=O)O)cc3)CCOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ TP53 P04637 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PTGER4 P35408 7/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ACACB O00763 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ LMNA P02545 2/20 0.39

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
SCHEMBL29705585 1.00 ALDH1A1 (0.51) ALDH1A1TP53HTTPOLBRXRA
SCHEMBL23164167 1.00 ALDH1A1 (0.51) ALDH1A1TP53HTTPOLBRXRA
SCHEMBL23163736 0.91 ALDH1A1 (0.47) ALDH1A1TP53HTTPOLBNPC1
SCHEMBL23163738 0.91 ALDH1A1 (0.47) ALDH1A1TP53HTTPOLBNPC1
SCHEMBL28749471 0.87 ALDH1A1 (0.46) ALDH1A1TP53HTTPOLBNPC1
SCHEMBL29705535 0.87 ALDH1A1 (0.46) ALDH1A1TP53HTTPOLBNPC1
SCHEMBL28749473 0.87 ALDH1A1 (0.46) ALDH1A1TP53HTTPOLBNPC1
SCHEMBL23164193 0.87 ALDH1A1 (0.48) ALDH1A1TP53HTTPOLBRXRA
SCHEMBL23164192 0.87 ALDH1A1 (0.48) ALDH1A1TP53HTTPOLBRXRA
SCHEMBL29705715 0.87 ALDH1A1 (0.48) ALDH1A1TP53HTTPOLBRXRA

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
EP-4038052-B1 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2024-02-07 — — EP disclosed
EP-4038052-A2 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-08-10 — — 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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