SCHEMBL7902296

SCHEMBL7902296

CCOc1ccc(O)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
HSD17B10 Q99714 2/20 0.57
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
ALOX5 P09917 1/20 0.50
PTGS2 P35354 1/20 0.50
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
MYC P01106 1/20 0.47
PTPN1 P18031 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
FOLH1 Q04609 1/20 0.45
S1PR3 Q99500 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
SCHEMBL8335667 0.86 TSHR (0.53) TSHRHSD17B10LMNACA12CA1
SCHEMBL29654165 0.85 PTPN11 (0.58) KMT2ACA12CA1CA2CA7
SCHEMBL12121011 0.85 PTPN11 (0.58) KMT2ACA12CA1CA2CA7
SCHEMBL2771810 0.84 CFD (0.61) TSHRHSD17B10LMNAKMT2APTPN1
SCHEMBL5312956 0.83 CA12 (0.68) TSHRHSD17B10LMNAKMT2ACA12
SCHEMBL3903917 0.83 KDM4E (0.60) TSHRHSD17B10LMNAKMT2AKDM4E
SCHEMBL1641613 0.82 TSHR (0.57) TSHRHSD17B10LMNAKMT2AKDM4E
SCHEMBL3388835 0.82 TSHR (0.62) TSHRHSD17B10LMNAKMT2AMYC
SCHEMBL5340855 0.82 TSHR (0.68) TSHRHSD17B10LMNAKMT2ACA12
SCHEMBL1107710 0.82 KDM4E (0.63) TSHRHSD17B10LMNAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200981-B1 FOR TREATING INFLAMMATORY DISEASES SUCH AS ASTHMA, INFLAMMATORY BOWEL DISEASE, PSORIASIS, RHEUMATOID ARTHRITIS, MYOCARDIAL ISCHAEMIA, CYSTIC FIBROSIS, ARTHEREOSCLEROSIS, RESTENOSIS, PERIDONTAL DISEASE, SEPTIC SHOCK, OSTEOARTHRITIS ASTRAZENECA UK LIMITED (GB) 2001-03-13 US disclosed