SCHEMBL9583158

SCHEMBL9583158

CCCCCCCCCCC(CCCCCCCC)COC(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
TSHR P16473 3/20 0.47
CYP3A4 P08684 2/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
ZDHHC7 Q9NXF8 1/20 0.46
GPR84 Q9NQS5 6/20 0.42
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CA2 P00918 2/20 0.41
MAPT P10636 2/20 0.41
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL8442586 1.00 PRSS1 (0.50) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL8441571 1.00 PRSS1 (0.50) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL8443793 1.00 PRSS1 (0.50) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL7753353 0.98 TSHR (0.50) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL82662 0.85 CYP3A4 (0.66) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL27008512 0.84 PRSS1 (0.53) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL26633470 0.84 PRSS1 (0.53) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL2990536 0.84 PRSS1 (0.53) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL29042199 0.84 PRSS1 (0.53) PRSS1PRSS2PRSS3TSHRCYP3A4
SCHEMBL29240282 0.84 PRSS1 (0.53) PRSS1PRSS2PRSS3TSHRCYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254695-A Water immiscible solutoins for solvent extraction of metals IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
US-4879388-A AQUEOUS SOLUTIONS CONTAINING HALIDES IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1989-11-07 US disclosed