SCHEMBL11650100

SCHEMBL11650100

CCc1[nH]c(C)c(C)c1CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
P2RX7 Q99572 1/20 0.38
APEX1 P27695 1/20 0.38
GPR17 Q13304 1/20 0.37
EGFR P00533 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
AURKA O14965 2/20 0.35
RET P07949 2/20 0.35
FGFR1 P11362 2/20 0.35
FLT1 P17948 2/20 0.35
KDR P35968 2/20 0.35

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
SCHEMBL11647596 0.88 HSD17B10 (0.42) HSD17B10P2RX7APEX1GPR17EGFR
SCHEMBL11649627 0.87 HSD17B10 (0.42) HSD17B10P2RX7APEX1GPR17EGFR
SCHEMBL11647567 0.86 HSD17B10 (0.49) HSD17B10P2RX7APEX1GPR17EGFR
SCHEMBL547346 0.81 HSD17B10 (0.51) HSD17B10APEX1GPR17EGFRNPSR1
SCHEMBL11644035 0.79 HSD17B10 (0.39) HSD17B10P2RX7APEX1GPR17EGFR
SCHEMBL11645293 0.77 HSD17B10 (0.45) HSD17B10APEX1GPR17EGFRNPSR1
SCHEMBL11653208 0.77 HSD17B10 (0.39) HSD17B10RAB9ATSHRKDM4EALDH1A1
SCHEMBL6366738 0.76 HSD17B10 (0.44) HSD17B10APEX1GPR17EGFRNPSR1
SCHEMBL11647005 0.74 HSD17B10 (0.43) HSD17B10POLBRAB9AATMPDGFRB
SCHEMBL14560302 0.74 FGFR1 (0.42) HSD17B10P2RX7APEX1GPR17EGFR

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-4070366-A RING ALKYLATION OF SUBSTITUTED PYRROLES, ONE STEP CANADIAN PATENTS & DEVELOPMENT LIMITED (US) 1978-01-24 US disclosed