SCHEMBL11117626

SCHEMBL11117626

O=C(O)C=CC1(C(=O)O)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.37
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 2/20 0.32
AKR1C1 Q04828 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
THRB P10828 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL10971269 0.87 TSHR (0.42) TSHRTP53EGLN1EGLN3CYP1A2
SCHEMBL11378092 0.76 CYP2C19 (0.37) CYP2C19TSHRSMN1; SMN2CYP1A2AKR1C1
SCHEMBL11378091 0.76 CYP2C19 (0.37) CYP2C19TSHRSMN1; SMN2CYP1A2AKR1C1
SCHEMBL932855 0.75 CYP2C19 (0.39) CYP2C19TSHRSMN1; SMN2CYP1A2AKR1C1
SCHEMBL22261571 0.75 CYP2C19 (0.39) CYP2C19TSHRSMN1; SMN2CYP1A2AKR1C1
SCHEMBL4965566 0.74 CYP1A2 (0.38) CYP2C19TSHRTP53EGLN1EGLN3
SCHEMBL14400223 0.74 CYP1A2 (0.38) CYP2C19TSHRTP53EGLN1EGLN3
SCHEMBL10702869 0.74 CYP1A2 (0.38) CYP2C19TSHRTP53EGLN1EGLN3
SCHEMBL11098279 0.73 CYP2C19 (0.38) CYP2C19TSHRSMN1; SMN2CYP1A2AKR1C1
SCHEMBL648973 0.73 CYP2C19 (0.38) CYP2C19TSHRSMN1; SMN2CYP1A2AKR1C1

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
EP-0123555-A2 Electrically photosensitive imaging materials EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1984-10-31 EP claimed