SCHEMBL31446629

SCHEMBL31446629

Cc1cnc(C2(C(=O)O)CC2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
NPC1 O15118 3/20 0.40
P2RX7 Q99572 3/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
APP P05067 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL30630653 0.83 L3MBTL1 (0.41) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL7131013 0.83 L3MBTL1 (0.41) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL20241630 0.81 AKR1C3 (0.40) RAB9ANPC1P2RX7KDM4EALDH1A1
SCHEMBL31446101 0.81 AKR1C3 (0.39) RAB9ANPC1P2RX7AKR1C3AKR1C2
SCHEMBL31446066 0.74 KMT2A (0.37) P2RX7LMNAALDH1A1AKR1C3AKR1C2
SCHEMBL31446426 0.73 PDE4A (0.32) AKR1C3AKR1C2APPCYP3A4CYP2C9
SCHEMBL31759402 0.72 SPR (0.42) LMNAAKR1C3AKR1C2APPCYP3A4
SCHEMBL21585398 0.72 RAB9A (0.36) RAB9ANPC1MAPTLMNAAKR1C3
SCHEMBL14973733 0.71 AKR1C3 (0.43) AKR1C3AKR1C2APPCYP3A4CYP2C9
SCHEMBL14920534 0.70 PLAU (0.44) RAB9ANPC1MAPTKDM4EALDH1A1

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
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed