SCHEMBL31445947

SCHEMBL31445947

O=C(O)C1(c2ncccc2OC(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
GRM4 Q14833 1/20 0.39
LPAR1 Q92633 3/20 0.38
LMNA P02545 2/20 0.37
TRPV4 Q9HBA0 1/20 0.35
NR1I2 O75469 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
HTT P42858 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 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
SCHEMBL31446502 0.81 PLAU (0.43) SMN1; SMN2NPC1RAB9AGRM4LMNA
SCHEMBL31445144 0.78 KEAP1 (0.40) MAPTLPAR1CYP3A4HTTTSHR
SCHEMBL31445466 0.77 TRPV4 (0.44) SMN1; SMN2MAPTNPC1NFKB1RAB9A
SCHEMBL20241894 0.75 AKR1C3 (0.41) CYP3A4TDP1
SCHEMBL30695181 0.73 NPC1 (0.41) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL20771439 0.73 NPC1 (0.41) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL8515175 0.72 KDM4E (0.50) SMN1; SMN2MAPTNPC1NFKB1RAB9A
SCHEMBL18989933 0.72 NAPRT (0.41) SMN1; SMN2MAPTGRM4LMNACYP3A4
SCHEMBL31446917 0.72 HSD11B1 (0.42)
SCHEMBL20790211 0.71 MEN1 (0.43) SMN1; SMN2MAPTNPC1RAB9ALPAR1

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
EP-4642782-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF Pliant Therapeutics, Inc. (US) 2025-11-05 EP disclosed
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed