SCHEMBL24824296

SCHEMBL24824296

CC(C)(C)C(O)c1c(O)cccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
TSHR P16473 2/20 0.39
CA2 P00918 6/20 0.38
HPGD P15428 4/20 0.38
ALOX15 P16050 4/20 0.38
CA1 P00915 4/20 0.38
LMNA P02545 3/20 0.38
HSD17B10 Q99714 3/20 0.38
EGFR P00533 2/20 0.38
FYN P06241 2/20 0.38
MMP9 P14780 2/20 0.38
RECQL P46063 2/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
CA6 P23280 1/20 0.38
CDK2 P24941 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
SCHEMBL7116572 0.76 CA2 (0.38) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL7119116 0.76 ALDH1A1 (0.38) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL29048109 0.74 GABRA1 (0.54) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL17669972 0.74 CYP2D6 (0.38) ALDH1A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL789377 0.72 GABRA1 (0.44) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL8957734 0.71 GABRA1 (0.52) TRPA1ALDH1A1TDP1TSHRCA2
SCHEMBL2244010 0.71 TRPA1 (0.52) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL10979315 0.71 ALOX15 (0.47) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL725385 0.69 GABRA1 (0.52) TRPA1ATMALDH1A1TDP1TSHR
SCHEMBL16268435 0.67 TDP1 (0.48) ALDH1A1TDP1TSHRHSD17B10KDM4E

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-2022270478-A1 ANTIVIRAL AGENT 国立大学法人北海道大学 2022-12-29 WO disclosed