SCHEMBL9013786

SCHEMBL9013786

C=C(C)COCC(C)CCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.41
SPHK1 Q9NYA1 2/20 0.36
LMNA P02545 1/20 0.35
CES2 O00748 1/20 0.35
FAAH O00519 1/20 0.35
PLA2G2C Q5R387 2/20 0.34
SMPD1 P17405 3/20 0.33
TSHR P16473 2/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 1/20 0.33
PRKD1 Q15139 1/20 0.33
OPRM1 P35372 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
SCHEMBL28945775 0.80 ACE2 (0.47) ACE2SPHK1LMNASMPD1TSHR
SCHEMBL9750779 0.80 ACE2 (0.47) ACE2SPHK1LMNASMPD1TSHR
SCHEMBL28945783 0.80 ACE2 (0.47) ACE2SPHK1LMNASMPD1TSHR
SCHEMBL27658942 0.80 ACE2 (0.47) ACE2SPHK1LMNASMPD1TSHR
SCHEMBL28614253 0.80 ACE2 (0.47) ACE2SPHK1LMNASMPD1TSHR
SCHEMBL3317113 0.79 ACE2 (0.42) ACE2SPHK1LMNASMPD1TSHR
SCHEMBL3315187 0.79 ACE2 (0.42) ACE2SPHK1LMNASMPD1TSHR
SCHEMBL8965778 0.78 TSHR (0.33) TSHR
SCHEMBL9750819 0.78 OPRM1 (0.46) ACE2SPHK1LMNASMPD1TSHR
SCHEMBL18629986 0.78 FAAH (0.44) ACE2SPHK1LMNAFAAHSMPD1

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
US-5520725-A Dental glass ionomer cement composition GC CORPORATION (JP) 1996-05-28 US disclosed