SCHEMBL9682456

SCHEMBL9682456

O=C(Oc1ccc(C(=O)OC(=O)c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2C(=O)O)c(C(=O)O)c1)c1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
TSHR P16473 1/20 0.56
CASP1 P29466 1/20 0.56
NR1H4 Q96RI1 2/20 0.55
RAB9A P51151 7/20 0.54
MAPT P10636 6/20 0.54
HPGD P15428 5/20 0.54
NPC1 O15118 5/20 0.54
KMT2A Q03164 4/20 0.54
GAA P10253 1/20 0.54
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTPN7 P35236 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CASP3 P42574 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL9682440 0.90 ALDH1A1 (0.54) SMN1; SMN2TSHRCASP1NR1H4RAB9A
SCHEMBL9682429 0.86 KMT2A (0.56) SMN1; SMN2RAB9AMAPTHPGDNPC1
SCHEMBL9681098 0.84 KMT2A (0.49) SMN1; SMN2TSHRCASP1MAPTKMT2A
SCHEMBL9680731 0.81 ALDH1A1 (0.44) SMN1; SMN2TSHRCASP1MAPTKMT2A
SCHEMBL9001094 0.81 ALDH1A1 (0.59) SMN1; SMN2TSHRCASP1KMT2AGAA
SCHEMBL1501319 0.81 SMN1; SMN2 (0.63) SMN1; SMN2TSHRCASP1NR1H4RAB9A
SCHEMBL9681063 0.81 KDM4E (0.51) SMN1; SMN2RAB9AMAPTHPGDNPC1
SCHEMBL9681115 0.80 MAPT (0.45) SMN1; SMN2TSHRCASP1NR1H4RAB9A
SCHEMBL9681845 0.79 MAPT (0.49) TSHRMAPTKMT2AALDH1A1SRD5A2
SCHEMBL8755893 0.79 MAPT (0.76) SMN1; SMN2TSHRCASP1NR1H4RAB9A

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
US-5153335-A Reacting halophthalic anhydride and alkali metal salt with acid or acid derivative catalyst OCCIDENTAL CHEMICAL CORPORATION (US) 1992-10-06 US claimed
EP-0460687-A2 Process for the preparation of oxydiphthalic anhydride and acyloxyphthalic anhydrides OCCIDENTAL CHEMICAL CORPORATION (US) 1991-12-11 EP claimed