SCHEMBL25232148

SCHEMBL25232148

OC1CCC(c2ccc(C3(c4ccc(C5CCC(O)CC5)cc4)c4ccccc4-c4ccccc43)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.49
ESR2 Q92731 4/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
OPRK1 P41145 1/20 0.47
ESR1 P03372 2/20 0.41
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
CYP2C9 P11712 3/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL27130350 0.83 PDK2 (0.49) PDK2ESR2MEN1KMT2ASMN1; SMN2
SCHEMBL29254147 0.77 MEN1 (0.44) PDK2ESR2MEN1KMT2ASMN1; SMN2
SCHEMBL25280687 0.77 PDK2 (0.41) PDK2ESR2MEN1KMT2ASMN1; SMN2
SCHEMBL2778652 0.72 ESR2 (0.64) ESR2SMN1; SMN2CYP2C9CYP1A2TSHR
SCHEMBL557667 0.72 ESR2 (0.64) ESR2SMN1; SMN2CYP2C9CYP1A2TSHR
SCHEMBL6583115 0.72 ESR2 (0.64) ESR2SMN1; SMN2CYP2C9CYP1A2TSHR
SCHEMBL30516188 0.70 MEN1 (0.71) PDK2ESR2MEN1KMT2ASMN1; SMN2
SCHEMBL14122566 0.70 MEN1 (0.71) PDK2ESR2MEN1KMT2ASMN1; SMN2
SCHEMBL7265967 0.70 NPC1 (0.65) ESR2SMN1; SMN2CYP2C9CYP1A2TSHR
SCHEMBL13713752 0.70 PDK2 (0.42) PDK2KMT2AAPEX1

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
US-20230192950-A1 THERMOPLASTIC RESIN AND OPTICAL MEMBER TEIJIN LIMITED (JP) 2023-06-22 US disclosed