SCHEMBL11058733

SCHEMBL11058733

O=C(O)c1cc(=O)c2cc(OCC(O)COc3ccc4oc(C(=O)O)cc(=O)c4c3)ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.58
LMNA P02545 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.51
USP2 O75604 1/20 0.51
CSNK2A2 P19784 1/20 0.51
PTGS1 P23219 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
CSNK2A3 Q8NEV1 1/20 0.51
LOXL2 Q9Y4K0 2/20 0.51
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
AKR1B1 P15121 1/20 0.46
PTGER4 P35408 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 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
SCHEMBL9847111 0.91 ALDH1A1 (0.53) GPR35LMNATDP1ALDH1A1KDM4E
SCHEMBL11834098 0.91 GPR35 (0.50) GPR35LMNATDP1ALDH1A1KDM4E
SCHEMBL11836929 0.90 GPR35 (0.49) GPR35LMNATDP1ALDH1A1KDM4E
SCHEMBL11244993 0.90 KDM4E (0.65) GPR35LMNATDP1ALDH1A1KDM4E
SCHEMBL3866 0.89 GPR35 (0.79) GPR35LMNATDP1ALDH1A1KDM4E
SCHEMBL11237289 0.89 GPR35 (0.79) GPR35LMNATDP1ALDH1A1KDM4E
SCHEMBL13243157 0.86 GPR35 (0.59) GPR35LMNATDP1ALDH1A1KDM4E
SCHEMBL18211454 0.86 GPR35 (0.59) GPR35LMNATDP1ALDH1A1KDM4E
SCHEMBL11834789 0.85 KDM4E (0.60) GPR35LMNATDP1ALDH1A1KDM4E
SCHEMBL11461642 0.85 GPR35 (0.54) GPR35LMNATDP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4461769-A ANTIASTHEMIC AGENTS-PYRIDO(1,2-A)PYRIMIDINE COMPOUNDS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1984-07-24 US disclosed
US-4456752-A REACTING A HYDRAZINE WITH DIHALOGEN SUBSTITUTED PYRIDO(1,2-A)PYRIMIDINE CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1984-06-26 US disclosed
US-4452982-A Process for the preparation of nitrogen-bridgehead condensed pyrimidine compounds, and pharmaceutical compositions containing them CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1984-06-05 US disclosed
US-4362742-A TOPICAL APPLICATION SULLIVAN THOMAS J 1982-12-07 US disclosed
US-4271182-A TOPICAL APPLICATION OF 1,3-BIS((2-CARBOXY-CHROMON-5-)OXY)-2-HYDROXYPROPANE FISONS LIMITED (GB) 1981-06-02 US disclosed
US-4260612-A Antiallergic nitrogen bridge-head compounds CHINOIN GYOGYSZER ES VECYESZETI TERMEKEK GYARA RT. (HU) 1981-04-07 US disclosed
US-4234586-A ASTHMA; 9-HYDRAZONO-4H-PYRIDO(1,2A)PYRIMIDINE DERIVATIVES CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1980-11-18 US disclosed
US-4152448-A ANTIINFLAMMATORY FISONS LIMITED (GB) 1979-05-01 US disclosed
US-4066766-A 1-Oxo-6-substituted pyrimido [1,2-a]quinoline-2-carboxylic acids and derivatives thereof and their use as antiallergy agents PFIZER INC. (US) 1978-01-03 US disclosed