SCHEMBL24780846

SCHEMBL24780846

CC(=O)[C@]1(c2ccccc2)CCOC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ CYP2C19 P33261 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ TSHR P16473 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ MAPK1 P28482 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ P2RX7 Q99572 1/20 0.42

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
SCHEMBL25473619 1.00 ALDH1A1 (0.55) ALDH1A1CYP2C19NPC1MAPTCYP2C9
SCHEMBL24780844 0.89 ALDH1A1 (0.62) ALDH1A1CYP2C19NPC1MAPTCYP2C9
SCHEMBL23886618 0.86 AKR1C1 (0.58) ALDH1A1CYP2C19NPC1MAPTCYP2C9
SCHEMBL24663621 0.85 AKR1C1 (0.52) ALDH1A1CYP2C19NPC1MAPTCYP2C9
SCHEMBL25153965 0.83 ALDH1A1 (0.51) ALDH1A1CYP2C19NPC1MAPTCYP2C9
SCHEMBL890180 0.79 AKR1C1 (0.57) ALDH1A1LMNAAKR1C1P2RX7
SCHEMBL24663634 0.79 ALDH1A1 (0.48) ALDH1A1CYP2C19NPC1MAPTCYP2C9
SCHEMBL1627580 0.78 AKR1C1 (0.68) ALDH1A1CYP2C19NPC1MAPTCYP2C9
SCHEMBL3737199 0.76 AKR1C1 (0.70) ALDH1A1LMNANPSR1AKR1C1SMN1; SMN2
SCHEMBL12928712 0.76 AKR1C1 (0.64) ALDH1A1LMNANPSR1AKR1C1SMN1; SMN2

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
WO-2023083295-A1 ESTER DERIVATIVES OF N4-HYDROXYCYTIDINE AND USE THEREOF SUZHOU SPRING-SEA BIO-PHARMACEUTICALS CO., LTD. (CN) 2023-05-19 — — WO disclosed
WO-2022262845-A1 ESTER DERIVATIVES OF N4-HYDROXYCYTIDINE AND USE THEREOF SUZHOU SPRING-SEA BIO-PHARMACEUTICALS CO., LTD. (CN) 2022-12-22 — — WO disclosed
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