SCHEMBL7743524

SCHEMBL7743524

C=C(CC(C)CCC)CC(C)CCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.42
TSHR P16473 1/20 0.41
OPRM1 P35372 1/20 0.39
CA1 P00915 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.36
GPR84 Q9NQS5 6/20 0.35
FDPS P14324 2/20 0.34
PRKD3 O94806 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCI P41743 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCZ Q05513 1/20 0.34
PRKCD Q05655 1/20 0.34
PRKD1 Q15139 1/20 0.34

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
SCHEMBL5605814 0.87 ACE2 (0.42) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL7743761 0.83 ACE2 (0.44) ACE2OPRM1SPHK1LMNAGPR84
SCHEMBL7743773 0.83 TSHR (0.38) ACE2TSHRLMNAGPR84
SCHEMBL7743672 0.83 ACE2 (0.44) ACE2OPRM1SPHK1LMNAGPR84
SCHEMBL15249648 0.81 ACE2 (0.46) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL7744198 0.81 ACE2 (0.46) ACE2TSHROPRM1CA1SPHK1
SCHEMBL7744252 0.80 ACE2 (0.38) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL18860354 0.80 ACE2 (0.38) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL7744146 0.80 LMNA (0.41) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL25085937 0.79 ACE2 (0.32) ACE2SPHK1

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-2001002512-A1 USE OF DIMERIZED FISCHER-TROPSCH PROCESS PRODUCTS AND VINYLIDENE DERIVATIVES THEREOF SASOL TECHNOLOGY (PTY) LTD. (ZA) 2001-01-11 WO disclosed