SCHEMBL10360948

SCHEMBL10360948

O=C(Nc1cccc(O)c1)OCCCCCCCCCCCCOC(=O)Nc1cccc(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
HPGD P15428 3/20 0.57
LMNA P02545 2/20 0.57
EPHX2 P34913 2/20 0.57
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 1/20 0.53
RECQL P46063 1/20 0.53
MGLL Q99685 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
HDAC4 P56524 1/20 0.47

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
SCHEMBL10360611 0.94 RAB9A (0.55) RAB9AHPGDLMNAEPHX2NPC1
SCHEMBL11422530 0.89 RAB9A (0.53) RAB9AHPGDLMNAEPHX2NPC1
SCHEMBL11431792 0.86 HPGD (0.71) RAB9AHPGDLMNAEPHX2NPC1
SCHEMBL10361292 0.85 HPGD (0.56) RAB9AHPGDLMNAEPHX2NPC1
SCHEMBL10360620 0.83 HPGD (0.54) RAB9AHPGDLMNAEPHX2NPC1
SCHEMBL1933135 0.82 MAPK1 (0.68) RAB9AHPGDLMNAEPHX2NPC1
SCHEMBL17263428 0.81 RAB9A (0.75) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL10817231 0.81 RAB9A (0.75) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL832082 0.80 RAB9A (0.64) RAB9AHPGDLMNAEPHX2NPC1
SCHEMBL29687812 0.80 RAB9A (0.64) RAB9AHPGDLMNAEPHX2NPC1

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-0247476-B1 HYDROXYPHENYL URETHANES, PROCESS FOR THEIR MANUFACTURE, THEIR USES AND CHLOROFORMATES COMPRISING HYDROXYPHENYL URETHANE GROUPS BAYER AG (DE) 1990-12-27 EP disclosed
EP-0247483-A2 Process for the preparation of hydroxyphenyl urethanes BAYER AG (DE) 1987-12-02 EP disclosed
EP-0247476-A1 Hydroxyphenyl urethanes, process for their manufacture, their uses and chloroformates comprising hydroxyphenyl urethane groups BAYER AG (DE) 1987-12-02 EP disclosed