SCHEMBL25405317

SCHEMBL25405317

C#Cc1cnn(C2CCCCO2)c(=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ CYP4F2 P78329 4/20 0.39
▸ CYP4A11 Q02928 4/20 0.39
▸ ACVRL1 P37023 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CHRNA1 P02708 3/20 0.32
▸ CHRNB4 P30926 3/20 0.32
▸ CHRNA3 P32297 3/20 0.32
▸ CHRNB2 P17787 2/20 0.32

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
SCHEMBL1009505 0.78 ALDH1A1 (0.48) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL5918317 0.78 ALDH1A1 (0.48) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL15889590 0.78 ALDH1A1 (0.48) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL158414 0.78 CYP4F2 (0.52) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL766981 0.76 RXRA (0.55) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL21470492 0.75 KDM5B (0.38) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL8740164 0.75 ALDH1A1 (0.45) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL22499381 0.73 RXRA (0.44) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL13026225 0.72 RXRA (0.46) ALDH1A1LMNAPOLBRXRARXRB
SCHEMBL31104397 0.71 RXRA (0.45) ALDH1A1LMNAPOLBRXRARXRB

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-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 — — WO disclosed
WO-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 — — WO disclosed
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