SCHEMBL9152292

SCHEMBL9152292

CCCc1ccc(C(Br)c2ccc(CCC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.45
LIPG Q9Y5X9 2/20 0.45
CA2 P00918 1/20 0.42
ACACB O00763 2/20 0.40
MGLL Q99685 1/20 0.39
PLK1 P53350 1/20 0.39
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
THRB P10828 2/20 0.38
HTR2A P28223 1/20 0.38
KMT2A Q03164 1/20 0.37
ACACA Q13085 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL11432616 0.86 CA2 (0.48) LPLLIPGCA2MGLLPLK1
SCHEMBL9774407 0.84 LPL (0.43) LPLLIPGCA2ACACBMGLL
SCHEMBL11894779 0.82 LPL (0.42) LPLLIPGCA2ACACBMGLL
SCHEMBL2491588 0.80 LPL (0.48) LPLLIPGCA2ACACBMGLL
SCHEMBL18243383 0.79 ACACB (0.46) LPLLIPGCA2ACACBMGLL
SCHEMBL142480 0.79 LPL (0.62) LPLLIPGCA2MGLLPLK1
SCHEMBL597719 0.78 IDO1 (0.50) LPLLIPGCA2ACACBMGLL
SCHEMBL9621041 0.78 LPL (0.46) LPLLIPGCA2ACACBMGLL
SCHEMBL18378111 0.77 CA2 (0.44) LPLLIPGCA2ACACBMGLL
SCHEMBL4574183 0.77 THRB (0.41) LPLLIPGCA2ACACBMGLL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516849-B1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 1995-01-25 EP disclosed
US-5283251-A Testosterone 5a-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-01 US disclosed
EP-0516849-A1 INDOLE DERIVATIVES. FUJISAWA PHARMACEUTICAL CO (JP) 1992-12-09 EP disclosed
WO-1991013060-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-05 WO disclosed