SCHEMBL7034976

SCHEMBL7034976

Cc1ccc(CNC(=O)O)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 1/20 0.39
P2RX7 Q99572 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL7533571 0.94 HPGD (0.40) HPGDALDH1A1NPC1RAB9AHTT
SCHEMBL935059 0.82 HPGD (0.54) HPGDALDH1A1HTTGAAKMT2A
SCHEMBL7305010 0.77 THRB (0.34) ALDH1A1GAA
SCHEMBL1257818 0.75 SMN1; SMN2 (0.54) HPGDGAAKMT2ACYP1A2TSHR
SCHEMBL1257814 0.75 SMN1; SMN2 (0.39) HPGDALDH1A1KMT2ACYP1A2TSHR
SCHEMBL18716747 0.74 SLC6A4 (0.40) ALDH1A1KDM4E
SCHEMBL2017132 0.73 ALDH1A1 (0.73) HPGDALDH1A1NPC1RAB9AHTT
Ammonia Solution, Strong SCHEMBL28714250 0.73 SMN1; SMN2 (0.53) HPGDGAAKMT2ACYP1A2TSHR
SCHEMBL10732696 0.73 NPC1 (0.49) HPGDALDH1A1NPC1RAB9AHTT
SCHEMBL22659800 0.73 P2RX7 (0.40) HPGDALDH1A1HTTCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109450-B1 MICROCAPSULE FORMULATIONS BAYER CROPSCIENCE AG (DE) 2003-02-19 EP disclosed
EP-1109449-B1 MICROCAPSULE FORMULATIONS BAYER AG (DE) 2002-11-06 EP disclosed
EP-1109450-A1 MICROCAPSULE FORMULATIONS BAYER AG (DE) 2001-06-27 EP disclosed
EP-1109449-A1 MICROCAPSULE FORMULATIONS BAYER AG (DE) 2001-06-27 EP disclosed
WO-2000013504-A1 MICROCAPSULE FORMULATIONS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-16 WO disclosed
WO-2000013503-A1 MICROCAPSULE FORMULATIONS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-16 WO disclosed