SCHEMBL7313612

SCHEMBL7313612

CC/C=C/CCc1cc(Cl)cc(C(=O)OC)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SERPINH1 P50454 1/20 0.36
ABL1 P00519 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GALK1 P51570 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CNR2 P34972 1/20 0.34
ACLY P53396 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PDK2 Q15119 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPT P10636 2/20 0.33
NR4A2 P43354 2/20 0.33
TSHR P16473 1/20 0.33
MITF O75030 1/20 0.33

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
SCHEMBL7313619 1.00 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10SERPINH1ABL1
SCHEMBL30810266 0.82 HPGD (0.50) ALDH1A1HPGDHSD17B10SERPINH1ABL1
SCHEMBL7265468 0.77 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10SERPINH1ABL1
SCHEMBL7264993 0.76 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10SERPINH1ABL1
SCHEMBL1548468 0.74 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10SERPINH1ABL1
SCHEMBL7315586 0.74 SMN1; SMN2 (0.35) ALDH1A1GALK1MEN1KMT2APDK2
SCHEMBL7315583 0.74 SMN1; SMN2 (0.35) ALDH1A1GALK1MEN1KMT2APDK2
SCHEMBL7416031 0.74 GALK1 (0.40) ALDH1A1SERPINH1ABL1GALK1MEN1
SCHEMBL12035516 0.73 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10SERPINH1ABL1
SCHEMBL12035850 0.73 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10SERPINH1ABL1

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
US-5288731-A Antiemetics, antiserotonine agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-02-22 US disclosed
WO-1992009284-A1 2,6-METHANO-2H-1-BENZOXOCINCARBOXAMIDES AS 5-HT3-ANTAGONISTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-06-11 WO disclosed
US-4959485-A 5-HT3 ANTAGONISTS RORER PHARMACEUTICAL CORPORATION (US) 1990-09-25 US disclosed
US-4863921-A Dibenzofurancarboxamides and their pharmaceutical compositions and methods RORER PHARMACEUTICAL CORPORATION (US) 1989-09-05 US disclosed