SCHEMBL8927841

SCHEMBL8927841

CCCC(=O)OC1=CC(=O)CC2=C1CCc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
SRD5A1 P18405 2/20 0.38
LMNA P02545 3/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
GAA P10253 2/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CES1 P23141 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL7403186 0.74 DRD1 (0.42) SMN1; SMN2LMNAHTR1ADRD2DRD1
SCHEMBL6822134 0.66 ALDH1A1 (0.44) SMN1; SMN2GAAKMT2AALDH1A1KDM4E
SCHEMBL25524782 0.65 ALDH1A1 (0.50) SMN1; SMN2GAAKMT2AALDH1A1KDM4E
SCHEMBL13781442 0.64 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AALDH1A1MTNR1AMTNR1B
Butyramide SCHEMBL5504220 0.64 MTNR1A (0.47) SMN1; SMN2LMNAGAAKMT2AALDH1A1
SCHEMBL9312497 0.63 KMT2A (0.59) LMNAKMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL28090033 0.63 KMT2A (0.41) SMN1; SMN2LMNAHTR1ADRD2DRD1
SCHEMBL7470992 0.62 NPC1 (0.56) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL11671192 0.62 CES1 (0.59) SRD5A1HTR1ADRD1L3MBTL1HPGD
SCHEMBL11671185 0.62 CES1 (0.59) SRD5A1HTR1ADRD1L3MBTL1HPGD

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-5663030-A A PHENYL OR NORBORNANE DERIVATIVE AS AN ADDITIVE TO REDUCE HEAT AND ENERGY REQUIRED TO FUSE THE TONER AND TO REDUCE JAMMING OF THE EQUIPMENT XEROX CORPORATION (US) 1997-09-02 US claimed