SCHEMBL9217855

SCHEMBL9217855

Cc1cccc(-c2oc(C(=O)O)c3ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.48
IP6K3 Q96PC2 2/20 0.48
IP6K2 Q9UHH9 2/20 0.48
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
PIN1 Q13526 1/20 0.43
NR4A2 P43354 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL9216798 0.84 KDM4E (0.47) IP6K1IP6K3IP6K2NPC1RAB9A
SCHEMBL9212264 0.83 KDM4E (0.55) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL9219756 0.83 TP53 (0.51) IP6K1IP6K3IP6K2RXRARXRB
SCHEMBL9217844 0.77 L3MBTL1 (0.49) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL9222019 0.75 NAAA (0.46) HPGDSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9212333 0.75 MAPT (0.46) IP6K1IP6K3IP6K2NPC1RAB9A
SCHEMBL28429262 0.73 KDM4E (0.72) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL31723137 0.73 KDM4E (0.72) NPC1RAB9AHPGDSMN1; SMN2TSHR
SCHEMBL9218354 0.73 ALDH1A1 (0.46) RXRARXRBRXRGNPC1RAB9A
SCHEMBL9217470 0.73 IP6K1 (0.42) IP6K1IP6K3IP6K2HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512570-B1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-10-11 EP disclosed
EP-0512570-A1 Urea derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-11 EP disclosed