SCHEMBL4649302

SCHEMBL4649302

CCC(Nc1ccccc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 2/20 0.44
PGR P06401 1/20 0.43
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TEAD4 Q15561 1/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTR1E P28566 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR3 Q99500 1/20 0.40
SHBG P04278 1/20 0.39
EPHX2 P34913 2/20 0.39
EPHX1 P07099 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 2/20 0.39

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
Hydrochloric Acid SCHEMBL27294725 0.89 IDH1 (0.43) TSHRTDP1PGRLMNAMEN1
SCHEMBL11461587 0.80 PGR (0.46) TSHRTDP1PGRNPC1LMNA
SCHEMBL1060072 0.74 TDP1 (0.41) TSHRTDP1NPC1LMNAMEN1
SCHEMBL7368092 0.73 METAP2 (0.48) TSHRTDP1TEAD4LMNAMEN1
SCHEMBL10709950 0.73 TDP1 (0.43) TSHRTDP1TEAD4LMNAMEN1
SCHEMBL30537465 0.71 CA1 (0.58) TDP1TEAD4LMNAMEN1MAPT
SCHEMBL11462135 0.71 PGR (0.47) TSHRPGRNPC1MEN1KMT2A
SCHEMBL28891987 0.71 TSHR (0.64) TSHRTDP1LMNAMEN1MAPT
SCHEMBL1864078 0.71 SHBG (0.54) LMNAMAPTSHBGEPHX2EPHX1
SCHEMBL26404681 0.71 SHBG (0.54) LMNAMAPTSHBGEPHX2EPHX1

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
EP-1904047-A2 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-04-02 EP disclosed
WO-2007008627-A2 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2007-01-18 WO disclosed