SCHEMBL11645375

SCHEMBL11645375

CCCCOc1ccccc1C1(C(=O)O)CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
TSHR P16473 1/20 0.55
THRB P10828 1/20 0.49
AKR1C1 Q04828 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL11642260 0.87 L3MBTL1 (0.50) KMT2AMEN1TSHRAKR1C1CYP2C19
SCHEMBL23261664 0.82 GLA (0.51) KMT2AMEN1TSHRAKR1C1CYP2C19
SCHEMBL7464907 0.79 L3MBTL1 (0.55) KMT2AMEN1AKR1C1LMNAOPRK1
SCHEMBL6669616 0.77 THRB (0.47) KMT2AMEN1TSHRTHRBMAPT
SCHEMBL9359055 0.75 CYP2C9 (0.45) KMT2AMEN1THRBCYP1A2CYP2C9
SCHEMBL3443849 0.75 L3MBTL1 (0.51) KMT2AMEN1AKR1C1LMNAOPRK1
SCHEMBL23163980 0.75 FAAH (0.48) KMT2AMEN1TSHRAKR1C1
SCHEMBL4606853 0.74 KMT2A (0.73) KMT2AMEN1TSHRTHRBAKR1C1
SCHEMBL19405089 0.74 HTR1D (0.53) KMT2AMEN1TSHRLMNAALDH1A1
SCHEMBL1465128 0.73 SIGMAR1 (0.50) KMT2AAKR1C1LMNAOPRK1HDAC6

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-4130559-A BACTERICIDES TSINKER MAIA G 1978-12-19 US disclosed