SCHEMBL31433104

SCHEMBL31433104

CCC1(Oc2ccc(Br)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 2/20 0.36
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
MMP13 P45452 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP2A6 P11509 1/20 0.32
CHRNA7 P36544 1/20 0.32
MGLL Q99685 1/20 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
SCHEMBL19110504 0.83 KDM1A (0.37) MMP14KDM1ARCOR1MAPTMEN1
SCHEMBL17441559 0.80 MEN1 (0.35) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL15356276 0.76 CHRNB2 (0.42) MAPTALDH1A1CHRNA7LRRK2
SCHEMBL18478572 0.74 ACHE (0.37) MMP14MEN1KMT2ARAB9AKDM4E
SCHEMBL1978302 0.74 MAPK1 (0.43) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL1978847 0.74 HPGD (0.45) MMP13MAPTMEN1KMT2ARAB9A
SCHEMBL1839607 0.73 LTA4H (0.40) MEN1KMT2A
SCHEMBL18372576 0.73 SLC6A3 (0.41) MMP14MMP13MEN1KMT2AALDH1A1
SCHEMBL10249888 0.73 KMT2A (0.36) MMP14MEN1KMT2ARAB9ALMNA
SCHEMBL20475950 0.73 CA2 (0.54) ALDH1A1CA1CA2CA9

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-2025052333-A1 NOVEL 1,2,4-OXADIAZOLES COMPOUNDS AS FUNGICIDE PI INDUSTRIES LTD. (IN) 2025-03-13 WO disclosed