SCHEMBL7820486

SCHEMBL7820486

Cc1ccc(CCCCc2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
HPGD P15428 2/20 0.69
HSD17B10 Q99714 2/20 0.69
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
CA2 P00918 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
IGF1R P08069 1/20 0.52
ALOX15 P16050 1/20 0.52
FFAR1 O14842 2/20 0.51
CTBP2 P56545 1/20 0.50
KLKB1 P03952 1/20 0.50
CTSB P07858 1/20 0.50
AKR1B1 P15121 1/20 0.50
ABCC4 O15439 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL8356126 0.96 ALDH1A1 (0.69) ALDH1A1HPGDHSD17B10TDP1L3MBTL1
SCHEMBL2525145 0.89 CA2 (0.62) ALDH1A1HPGDHSD17B10TDP1L3MBTL1
SCHEMBL92022 0.89 CA2 (0.62) ALDH1A1HPGDHSD17B10TDP1L3MBTL1
SCHEMBL11423252 0.89 ALDH1A1 (0.80) ALDH1A1HPGDHSD17B10TDP1CA2
SCHEMBL4444930 0.87 CA2 (0.60) ALDH1A1HPGDHSD17B10TDP1L3MBTL1
Hydrochloric Acid SCHEMBL2529407 0.87 CA2 (0.60) ALDH1A1HPGDHSD17B10TDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL22042020 0.87 CA2 (0.60) ALDH1A1HPGDHSD17B10TDP1L3MBTL1
SCHEMBL11424079 0.87 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10TDP1CA2
SCHEMBL11432001 0.87 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10TDP1CA2
SCHEMBL388578 0.87 CA2 (0.60) ALDH1A1HPGDHSD17B10TDP1L3MBTL1

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed