SCHEMBL28749417

SCHEMBL28749417

COC(=O)c1ccc([C@H](C)NC(=O)C2(c3ccc(OCc4ccccc4)cc3)CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ F7 P08709 1/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ RXRA P19793 1/20 0.45
▸ RXRB P28702 1/20 0.45
▸ ACACA Q13085 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LNPEP Q9UIQ6 2/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL28749419 1.00 ACACB (0.50) ACACBSMN1; SMN2MEN1KMT2AF7
SCHEMBL23163538 0.92 RXRB (0.55) ACACBSMN1; SMN2F7RAB9ANPC1
SCHEMBL23163540 0.92 RXRB (0.55) ACACBSMN1; SMN2F7RAB9ANPC1
SCHEMBL27078197 0.92 ALDH1A1 (0.49) ACACBSMN1; SMN2MEN1KMT2AF7
SCHEMBL27078201 0.92 ALDH1A1 (0.49) ACACBSMN1; SMN2MEN1KMT2AF7
SCHEMBL23163484 0.90 ACACB (0.48) ACACBSMN1; SMN2MEN1KMT2AF7
SCHEMBL23163486 0.90 ACACB (0.48) ACACBSMN1; SMN2MEN1KMT2AF7
SCHEMBL23163958 0.84 RXRA (0.52) ACACBSMN1; SMN2KMT2AF7RAB9A
SCHEMBL23163961 0.84 RXRA (0.52) ACACBSMN1; SMN2KMT2AF7RAB9A
SCHEMBL27078182 0.83 ACACB (0.48) ACACBSMN1; SMN2ACACANPSR1LMNA

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-114555573-A Prostaglandin E2(PGE2)EP4Receptor antagonists 多曼治疗学公司 2022-05-27 — — CN disclosed
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