SCHEMBL11432001

SCHEMBL11432001

O=C(O)Cc1ccc(CCCCCCCCc2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.77
HPGD P15428 2/20 0.73
HSD17B10 Q99714 2/20 0.73
CA2 P00918 1/20 0.60
CAMK2A Q9UQM7 1/20 0.60
AKR1B1 P15121 1/20 0.58
MAPT P10636 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
TSHR P16473 2/20 0.56
ABCC4 O15439 1/20 0.56
PTGS1 P23219 1/20 0.56
HTT P42858 1/20 0.56
TRPV1 Q8NER1 2/20 0.52
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50

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
SCHEMBL11426403 1.00 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL11431995 1.00 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL11424079 1.00 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL11423252 0.98 ALDH1A1 (0.80) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL7820960 0.93 HSD17B10 (0.76) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL4970664 0.91 AKR1B1 (0.74) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL2674656 0.90 ALDH1A1 (0.96) ALDH1A1HPGDHSD17B10MAPTLMNA
SCHEMBL8337401 0.90 ALDH1A1 (0.96) ALDH1A1HPGDHSD17B10MAPTLMNA
SCHEMBL9523042 0.90 ALDH1A1 (0.96) ALDH1A1HPGDHSD17B10MAPTLMNA
SCHEMBL6801680 0.90 ALDH1A1 (0.96) ALDH1A1HPGDHSD17B10MAPTLMNA

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
US-4232042-A Di-Carboxylic acid derivatives AKZONA INCORPORATED (US) 1980-11-04 US disclosed