SCHEMBL31063152

SCHEMBL31063152

CCOC(=O)Cc1cc(Cl)c(CC(C)C)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
CYP3A4 P08684 1/20 0.41
P2RX3 P56373 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14570472 0.80 TAAR1 (0.65) TAAR1
SCHEMBL5309200 0.80 TAAR1 (0.65) TAAR1
Hydrochloric Acid SCHEMBL5309198 0.78 TAAR1 (0.63) TAAR1
Hydrochloric Acid SCHEMBL5309205 0.78 TAAR1 (0.63) TAAR1
SCHEMBL21455228 0.77 DPP4 (0.43) DPP4CYP3A4ALDH1A1KDM4EMEN1
SCHEMBL31063034 0.77 ALDH1A1 (0.35) CYP3A4TAAR1ALDH1A1MEN1KMT2A
SCHEMBL8282635 0.77 CYP3A4 (0.51) DPP4CYP3A4TAAR1ALDH1A1KDM4E
SCHEMBL2124718 0.76 DPP4 (0.46) DPP4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL31456004 0.76 HMGCR (0.49) DPP4CYP3A4TAAR1ALDH1A1KDM4E
SCHEMBL11810881 0.75 KMT2A (0.43) DPP4KMT2AGAASMN1; 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
EP-4665339-A1 INHIBITING ALPHA V BETA 8 INTEGRIN Morphic Therapeutic, Inc. (US) 2025-12-24 EP disclosed
WO-2024173570-A1 INHIBITING αvβ8 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2024-08-22 WO disclosed