SCHEMBL30599028

SCHEMBL30599028

COC(=O)C(c1cc(OCc2ccccc2)no1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.43
GABRA5 P31644 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
LTA4H P09960 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
EPOR P19235 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL24838734 0.89 LMNA (0.48) SMPD1SMN1; SMN2GABRA5NPC1RAB9A
SCHEMBL25194754 0.89 SMPD1 (0.41) SMPD1SMN1; SMN2GABRA5NPC1RAB9A
SCHEMBL24788994 0.89 SMPD1 (0.48) SMPD1SMN1; SMN2GABRA5NPC1RAB9A
SCHEMBL21458792 0.87 SMPD1 (0.40) SMPD1SMN1; SMN2GABRA5NPC1RAB9A
SCHEMBL25214008 0.82 ADRB2 (0.36) SMPD1SMN1; SMN2LMNAKMT2A
SCHEMBL26683459 0.82 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ALMNAKMT2A
SCHEMBL27151955 0.82 SMPD1 (0.39) SMPD1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL31681495 0.80 KMT2A (0.35) SMPD1SMN1; SMN2GABRA5NPC1RAB9A
SCHEMBL21405138 0.80 SMPD1 (0.40) SMPD1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL25276739 0.79 ACACB (0.38) SMPD1SMN1; SMN2NPC1RAB9AACACB

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-2023185864-A1 Compounds for Targeted Degradation of KRAS JINGRUI BIOPHARMA CO., LTD. (CN) 2023-10-05 WO disclosed