SCHEMBL31422684

SCHEMBL31422684

CCCCCCCCC(CCCC)COC(=O)OOOC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CYP3A4 P08684 3/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CA2 P00918 4/20 0.38
ALDH1A1 P00352 3/20 0.37
ZDHHC7 Q9NXF8 1/20 0.36
LMNA P02545 3/20 0.36
RECQL P46063 1/20 0.35
CA1 P00915 2/20 0.35
PLA2G2C Q5R387 1/20 0.35
SMPD1 P17405 3/20 0.34
GPR84 Q9NQS5 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL28772 0.90 CYP3A4 (0.53) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL19348249 0.86 CYP3A4 (0.51) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL21900161 0.84 CYP3A4 (0.47) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL29157890 0.83 CYP3A4 (0.46) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL8508059 0.81 TSHR (0.53) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL217482 0.81 CYP3A4 (0.55) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL29368285 0.81 CYP3A4 (0.55) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL8572595 0.80 CA2 (0.47) CA2ZDHHC7CA1SMPD1GPR84
SCHEMBL2990536 0.79 PRSS1 (0.53) TSHRCYP3A4ATMTDP1PRSS1
SCHEMBL29240282 0.79 PRSS1 (0.53) TSHRCYP3A4ATMTDP1PRSS1

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-119365556-A Adhesive tape 积水化学工业株式会社 2025-01-24 CN disclosed