SCHEMBL7536950

SCHEMBL7536950

CCCCN1Cc2ccccc2C[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.49
MMP8 P22894 4/20 0.46
MMP3 P08254 3/20 0.46
POLB P06746 3/20 0.45
CHEK1 O14757 1/20 0.45
JAK2 O60674 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MMP9 P14780 2/20 0.43
MMP1 P03956 1/20 0.43
ADAM17 P78536 1/20 0.43
ADAM9 Q13443 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7536956 1.00 ACE (0.49) ACEMMP8MMP3POLBCHEK1
SCHEMBL12191655 0.91 ACE (0.51) ACEMMP8MMP3POLBCHEK1
SCHEMBL12125023 0.85 ACE (0.53) ACEPOLBCHEK1JAK2TDP1
SCHEMBL4239788 0.85 ACE (0.53) ACEPOLBCHEK1JAK2TDP1
SCHEMBL10067954 0.85 ACE (0.53) ACEPOLBCHEK1JAK2TDP1
SCHEMBL3249761 0.82 ACE (0.46) ACEMMP8MMP3POLBCHEK1
SCHEMBL7536221 0.81 GRM2 (0.51) ACEMMP8MMP3
SCHEMBL7536224 0.81 GRM2 (0.51) ACEMMP8MMP3
SCHEMBL7535131 0.81 HDAC8 (0.49) MMP8MMP3ALDH1A1
SCHEMBL7535126 0.81 HDAC8 (0.49) MMP8MMP3ALDH1A1

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-1045844-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-21 EP disclosed
EP-1045844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5932590-A PEPTIDOMIMETIC IMIDAZOLYL-CONTAINING 1,2,3,4-TETRAHYDRO-QUINOLINES OR AN ANALOGOUS 3-BENZAZEPINES; ANTICARCINOGENIC AND-PROLIFERATIVE AGENTS; POLYCYSTIC KIDNEY DISEASE; RESTENOSIS PREVENTION; HEPATITIS; RETINAL VASCULARZATION MERCK & CO., INC. (US) 1999-08-03 US disclosed
WO-1999028314-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed