SCHEMBL28028752

SCHEMBL28028752

OC1Cc2ccc3c(ccc4ccccc43)c2C(O)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.45
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2A6 P11509 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PAX8 Q06710 1/20 0.35
ANPEP P15144 2/20 0.35
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
MAPK1 P28482 1/20 0.33
PMP22 Q01453 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
SCHEMBL28142842 0.84 HPRT1 (0.42) HPRT1TSHRALDH1A1HSD17B10CYP2A6
SCHEMBL6986089 0.79 HSD17B10 (0.42) HPRT1TSHRALDH1A1HSD17B10CYP2A6
Furan SCHEMBL28166897 0.78 HPRT1 (0.36) HPRT1TSHRALDH1A1HSD17B10CYP2A6
SCHEMBL7740651 0.77 HPRT1 (0.48) HPRT1TSHRALDH1A1HSD17B10CYP2A6
SCHEMBL27497738 0.73 HPRT1 (0.44) HPRT1TSHRALDH1A1HSD17B10CYP2A6
SCHEMBL1772825 0.72 HPRT1 (0.42) HPRT1TSHRALDH1A1HSD17B10CYP2A6
SCHEMBL28166677 0.70 HPRT1 (0.44) HPRT1TSHRALDH1A1HSD17B10CYP2A6
SCHEMBL27474193 0.70 HPRT1 (0.44) HPRT1TSHRALDH1A1HSD17B10CYP2A6
SCHEMBL6944904 0.69 CYP1A2 (0.51) TSHRALDH1A1HSD17B10CYP2A6TDP1
SCHEMBL25510 0.67 HPRT1 (1.00) HPRT1TSHRALDH1A1HSD17B10CYP2A6

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
CN-104781271-A Polynucleotides having bioreversible groups UNIV CALIFORNIA 2015-07-15 CN disclosed