SCHEMBL7288382

SCHEMBL7288382

CCN1C(=O)C(C)Oc2c(C(=O)O)cc(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
RORC P51449 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DYRK1A Q13627 1/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
MYC P01106 2/20 0.33
NR4A1 P22736 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SLC5A2 P31639 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 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
SCHEMBL7288360 0.85 MEN1 (0.46) TSHRALDH1A1L3MBTL1POLBMEN1
SCHEMBL7287822 0.83 TSHR (0.44) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL7282398 0.83 HTR2A (0.36) TSHRHSD17B10ALOX15ALDH1A1DYRK1A
SCHEMBL7278698 0.83 ALDH1A1 (0.45) TSHRALDH1A1L3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL7287352 0.83 TSHR (0.43) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL7287042 0.83 MEN1 (0.44) TSHRALDH1A1POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL7288578 0.82 ALDH1A1 (0.44) TSHRALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL7287310 0.82 TSHR (0.46) TSHRHSD17B10ALOX15POLBHTT
Hydrochloric Acid SCHEMBL7288500 0.82 MEN1 (0.43) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL7278129 0.81 CMA1 (0.41) ALDH1A1POLBMEN1KMT2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313393-B1 Benzoxazine compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 1994-03-16 EP disclosed
US-4892872-A ANTIEMETICS, ANTINAUSEA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-01-09 US disclosed
EP-0313393-A2 Benzoxazine compounds and pharmaceutical use thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-04-26 EP disclosed