SCHEMBL28035774

SCHEMBL28035774

CCCc1ccc(C)c(C=O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.45
ELANE P08246 2/20 0.38
CTSG P08311 1/20 0.38
TYR P14679 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
AOX1 Q06278 1/20 0.37
CYP3A4 P08684 2/20 0.36
USP2 O75604 1/20 0.36
ALOX5 P09917 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
MAPT P10636 1/20 0.34
HSD17B3 P37058 1/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 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
SCHEMBL8040744 0.90 TYR (0.46) PRKCIELANECTSGTYRKDM4E
SCHEMBL5337847 0.87 PRKCI (0.49) PRKCIELANECTSGTYRKDM4E
SCHEMBL28035342 0.86 PRKCI (0.41) PRKCIELANECTSGTYRKDM4E
SCHEMBL8487538 0.81 PRKCI (0.44) PRKCIELANECTSGTYRKDM4E
SCHEMBL10019535 0.79 CTSL (0.40) PRKCIALDH1A1CYP3A4ERN1
SCHEMBL5676907 0.77 PRKCI (0.48) PRKCIELANECTSGTYRALDH1A1
SCHEMBL3962694 0.76 TYR (0.46) PRKCIELANECTSGTYRKDM4E
SCHEMBL29397237 0.76 CYP3A4 (0.42) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL3966986 0.76 CYP3A4 (0.42) KDM4EMEN1ALDH1A1LMNAHPGD
SCHEMBL5709273 0.75 TYR (0.52) PRKCIELANECTSGTYRCYP3A4

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-104995266-A Ink composition, ink jet recording method, printed matter, and polymer polymerization initiator FUJIFILM CORP 2015-10-21 CN disclosed