SCHEMBL13660419

SCHEMBL13660419

CCC(C)(CC)C(=O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.51
PARP10 Q53GL7 1/20 0.51
SRD5A2 P31213 4/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PLA2G4B P0C869 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
RXRA P19793 3/20 0.44
RXRB P28702 3/20 0.44
NR4A2 P43354 1/20 0.44
RXRG P48443 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL21237992 0.93 HPGD (0.50) PARP15PARP10RAB9ANPC1POLB
SCHEMBL12472613 0.87 PARP15 (0.51) PARP15PARP10SRD5A2RAB9ANPC1
SCHEMBL13313737 0.87 HPGD (0.44) PARP15PARP10RAB9ANPC1POLB
SCHEMBL5581812 0.80 NPC1 (0.57) PARP15PARP10SRD5A2RAB9ANPC1
SCHEMBL19362917 0.80 NPC1 (0.74) PARP15PARP10SRD5A2RAB9ANPC1
SCHEMBL10028740 0.79 HPGD (0.50) PARP15PARP10RAB9ANPC1POLB
SCHEMBL21237888 0.78 ELANE (0.46) PARP15PARP10RAB9ANPC1POLB
Ethane SCHEMBL11219716 0.78 PARP10 (0.72) PARP15PARP10SRD5A2RAB9ACA1
Terephthalic Acid SCHEMBL9861713 0.78 PARP10 (0.78) PARP15PARP10SRD5A2RAB9APOLB
SCHEMBL5581520 0.78 PARP10 (0.78) PARP15PARP10SRD5A2RAB9APOLB

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-7604913-B2 Electrophotographic photosensitive body MITSUBISHI CHEMICAL CORPORATION (JP) 2009-10-20 US disclosed
US-20080063963-A1 Electrophotographic Photosensitive Body MITSUBISHI CHEMICAL CORPORATION (JP) 2008-03-13 US disclosed