SCHEMBL13818595

SCHEMBL13818595

CCCCN(CC)C(=O)c1cccc(CC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ TSHR P16473 2/20 0.59
▸ GAA P10253 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.53
▸ LMNA P02545 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PPARG P37231 1/20 0.49
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PARP1 P09874 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ LTB4R2 Q9NPC1 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44

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
SCHEMBL8828473 0.88 HPGD (0.67) HPGDALDH1A1TSHRTDP1LMNA
SCHEMBL13818522 0.84 TP53 (0.51) HPGDALDH1A1TDP1LMNANPC1
SCHEMBL2225313 0.84 HPGD (0.77) HPGDALDH1A1TSHRGAATDP1
SCHEMBL10722469 0.82 HPGD (0.69) HPGDALDH1A1TSHRGAATDP1
SCHEMBL5254287 0.81 HPGD (0.57) HPGDALDH1A1TSHRGAATDP1
SCHEMBL5254289 0.81 HPGD (0.57) HPGDALDH1A1TSHRGAATDP1
SCHEMBL1005865 0.81 HPGD (0.82) HPGDALDH1A1TSHRGAALMNA
SCHEMBL9016911 0.79 ALDH1A1 (0.55) HPGDALDH1A1PPARG
SCHEMBL16613822 0.79 HPGD (0.65) HPGDALDH1A1TSHRGAATDP1
SCHEMBL14234683 0.78 HPGD (0.53) HPGDALDH1A1TSHRGAATDP1

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
EP-2070909-A1 Non-steroidal progesterone receptor modulators Bayer Schering Pharma AG (DE) 2009-06-17 — — EP disclosed
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