SCHEMBL22452940

SCHEMBL22452940

CC(=O)COCNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.47
OPRD1 P41143 6/20 0.39
OPRM1 P35372 4/20 0.39
OPRK1 P41145 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
SRC P12931 1/20 0.37

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
SCHEMBL22452943 1.00 AKT1 (0.47) AKT1OPRD1OPRM1OPRK1HDAC3
SCHEMBL22768342 0.93 AKT1 (0.46) AKT1OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL28385639 0.93 AKT1 (0.46) AKT1OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL17003582 0.93 AKT1 (0.46) AKT1OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL18224261 0.93 AKT1 (0.46) AKT1OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL28385636 0.93 AKT1 (0.46) AKT1OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL25871102 0.93 AKT1 (0.46) AKT1OPRD1OPRM1OPRK1HDAC3
SCHEMBL25053006 0.92 AKT1 (0.45) AKT1OPRD1OPRM1OPRK1HDAC3
SCHEMBL20345224 0.92 AKT1 (0.45) AKT1OPRD1OPRM1OPRK1ALDH1A1
SCHEMBL20041046 0.92 AKT1 (0.45) AKT1OPRD1OPRM1OPRK1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024035787-A2 CLAUDIN-6 ANTIBODIES AND CONJUGATES THEREOF AND USES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-02-15 WO disclosed
WO-2020191342-A1 CLAUDIN-6 ANTIBODIES AND DRUG CONJUGATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-09-24 WO disclosed
WO-2020191344-A1 CLAUDIN-6 BISPECIFIC ANTIBODIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-09-24 WO disclosed