SCHEMBL7601609

SCHEMBL7601609

O=C(O)Cc1ccccc1-c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.57
PTGER1 P34995 1/20 0.51
PTGER4 P35408 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGER2 P43116 1/20 0.51
KMT2A Q03164 2/20 0.49
CAMK2A Q9UQM7 2/20 0.48
CA2 P00918 1/20 0.48
PTGS2 P35354 1/20 0.48
ENPP2 Q13822 1/20 0.47
PTGS1 P23219 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.46
ABCC4 O15439 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
ABL1 P00519 1/20 0.46
ABCB1 P08183 1/20 0.46
BCR P11274 1/20 0.46

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
SCHEMBL5961842 0.89 PTGS1 (0.59) AKR1B1PTGER1PTGER4PTGER3PTGER2
SCHEMBL538512 0.88 KMT2A (0.60) AKR1B1PTGER1PTGER4PTGER3PTGER2
SCHEMBL27701716 0.86 KMT2A (0.58) AKR1B1PTGER1PTGER4PTGER3PTGER2
Ammonia Solution, Strong SCHEMBL27926479 0.86 KMT2A (0.58) AKR1B1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8645744 0.86 PTGS1 (0.55) AKR1B1PTGER1PTGER4PTGER3PTGER2
SCHEMBL28594606 0.86 KMT2A (0.58) AKR1B1PTGER1PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL11895689 0.86 KMT2A (0.58) AKR1B1PTGER1PTGER4PTGER3PTGER2
SCHEMBL29512995 0.86 KMT2A (0.58) AKR1B1PTGER1PTGER4PTGER3PTGER2
SCHEMBL28408449 0.85 PTGS1 (0.66) AKR1B1PTGER1PTGER4PTGER3PTGER2
Ethane SCHEMBL28588588 0.85 PTGS1 (0.57) AKR1B1PTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed
US-6127414-A NPY antagonists ASTRA AKTIEBOLAG (SE) 2000-10-03 US disclosed
EP-0302516-B1 Optical article made of amorphous thermoplastic polyester resin MITSUBISHI RAYON CO (JP) 1993-12-15 EP disclosed
US-4910291-A From aromatic diacid MITSUBISHI RAYON COMPANY LTD. (JP) 1990-03-20 US disclosed
EP-0302516-A2 Optical article made of amorphous thermoplastic polyester resin MITSUBISHI RAYON CO., LTD. (JP) 1989-02-08 EP disclosed