SCHEMBL30742980

SCHEMBL30742980

COC(=O)[C@@H]1CCC(F)(F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CCR2 P41597 3/20 0.36
FKBP1A P62942 1/20 0.36
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
IDH1 O75874 1/20 0.34
IDH2 P48735 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
IMPDH2 P12268 3/20 0.34
IL1B P01584 1/20 0.33
P2RX7 Q99572 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL16824579 1.00 PTPN1 (0.38) PTPN1NR1H2NR1H3CCR2FKBP1A
SCHEMBL19390009 0.86 HSD17B10 (0.36) CCR2HSD17B10HDAC8CHRM2CHRM1
SCHEMBL706243 0.86 PTPN1 (0.40) PTPN1NR1H2NR1H3CCR2HSD17B10
SCHEMBL1701540 0.86 PTPN1 (0.40) PTPN1NR1H2NR1H3CCR2HSD17B10
SCHEMBL18084471 0.86 HSD17B10 (0.42) CCR2HSD17B10HDAC8CHRM2CHRM1
SCHEMBL2207075 0.86 PTPN1 (0.40) PTPN1NR1H2NR1H3CCR2HSD17B10
SCHEMBL16749487 0.85 FKBP1A (0.41) PTPN1FKBP1AHSD17B10HDAC8CHRM2
SCHEMBL17924716 0.85 FKBP1A (0.41) PTPN1FKBP1AHSD17B10HDAC8CHRM2
SCHEMBL29514248 0.85 PTPN1 (0.36) PTPN1NR1H2NR1H3CCR2FKBP1A
SCHEMBL16749275 0.85 FKBP1A (0.41) PTPN1FKBP1AHSD17B10HDAC8CHRM2

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
EP-4551577-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE Blossomhill Therapeutics, Inc. (US) 2025-05-14 EP disclosed
CN-119790058-A Fused cyclic KRAS inhibitors for the treatment of diseases 荣山医药股份有限公司 2025-04-08 CN disclosed
WO-2024015262-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed