SCHEMBL30697394

SCHEMBL30697394

CCOC(=O)CCCCP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.55
POLB P06746 1/20 0.49
ALOX5 P09917 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LTA4H P09960 2/20 0.46
TSHR P16473 1/20 0.44
LPAR1 Q92633 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4838971 0.96 CETP (0.52) CETPPOLBALOX5SMN1; SMN2CYP4F2
SCHEMBL31308108 0.83 CETP (0.55) CETPALOX5SMN1; SMN2TSHR
SCHEMBL28016562 0.82 ALDH1A1 (0.58) ALOX5SMN1; SMN2CYP4F2CYP4A11ALDH1A1
SCHEMBL30887317 0.81 CETP (0.57) CETPSMN1; SMN2TSHR
SCHEMBL417168 0.81 CETP (0.50) CETPPOLBSMN1; SMN2ALDH1A1TSHR
SCHEMBL7050932 0.80 CETP (0.52) CETPALDH1A1TSHRLPAR1L3MBTL1
SCHEMBL24768581 0.79 ALDH1A1 (0.58) ALOX5SMN1; SMN2CYP4F2CYP4A11ALDH1A1
SCHEMBL7265466 0.79 CETP (0.71) CETPTSHR
SCHEMBL4931741 0.79 CYP1A2 (0.50) CYP4F2CYP4A11ALDH1A1TSHRLPAR1
SCHEMBL3047517 0.79 ALDH1A1 (0.50) CETPPOLBSMN1; SMN2ALDH1A1TSHR

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-4543893-A1 N-SUBSTITUTED INDOLE DERIVATIVES AND CONJUGATES FOR THE TREATMENT OF CANCER Evexta Bio (FR) 2025-04-30 EP disclosed
WO-2024003002-A1 N-SUBSTITUTED INDOLE DERIVATIVES AND CONJUGATES FOR THE TREATMENT OF CANCER DIACCURATE (FR) 2024-01-04 WO disclosed