SCHEMBL9534129

SCHEMBL9534129

COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.55
PTPN1 P18031 1/20 0.55
PPP1CC P36873 1/20 0.55
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SLC6A3 Q01959 2/20 0.49
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL12268199 1.00 PPM1B (0.55) PPM1BPTPN1PPP1CCALDH1A1KMT2A
SCHEMBL12317735 1.00 PPM1B (0.55) PPM1BPTPN1PPP1CCALDH1A1KMT2A
SCHEMBL15059297 1.00 PPM1B (0.55) PPM1BPTPN1PPP1CCALDH1A1KMT2A
SCHEMBL15382010 1.00 PPM1B (0.55) PPM1BPTPN1PPP1CCALDH1A1KMT2A
SCHEMBL9532224 1.00 PPM1B (0.55) PPM1BPTPN1PPP1CCALDH1A1KMT2A
SCHEMBL8398424 1.00 PPM1B (0.55) PPM1BPTPN1PPP1CCALDH1A1KMT2A
SCHEMBL392329 0.91 PPM1B (0.59) PPM1BPTPN1PPP1CCALDH1A1KMT2A
SCHEMBL392595 0.91 PPM1B (0.59) PPM1BPTPN1PPP1CCALDH1A1KMT2A
SCHEMBL4387586 0.91 PPM1B (0.59) PPM1BPTPN1PPP1CCALDH1A1KMT2A
SCHEMBL392330 0.91 PPM1B (0.59) PPM1BPTPN1PPP1CCALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2256650-A None JP disclosed
EP-0352083-B1 Alkenyltetrazole derivatives, their preparation and use SHIONOGI & CO (JP) 1993-11-24 EP disclosed
EP-0373949-B1 MONO ESTERS OF DICARBOXYLIC ACIDS, THEIR PREPARATION AND USE SHIONOGI & CO (JP) 1993-08-25 EP disclosed
JP-H02256650-A DICARBOXYLIC ACID MONOESTER AND PRODUCTION THEREOF SHIONOGI & CO LTD 1990-10-17 JP disclosed
EP-0384747-A1 Pharmaceutical or veterinary preparations of substituted hexenoic acid derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1990-08-29 EP disclosed
US-4916231-A THROMBOXANE A2 RECPTOR ANTAGONISTS SHIONOGI & CO., LTD. (JP) 1990-04-10 US disclosed
EP-0352083-A2 Alkenyltetrazole derivatives, their preparation and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1990-01-24 EP disclosed