SCHEMBL6535663

SCHEMBL6535663

O=C(O)C(O)Cc1cccc(O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
IAPP P10997 4/20 0.47
KDM6B O15054 1/20 0.47
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
AKR1B1 P15121 1/20 0.42
PTPRA P18433 1/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ADAMTS4 O75173 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
FYN P06241 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MMP8 P22894 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL18341946 0.85 SMN1; SMN2 (0.56) SMN1; SMN2KDM6BAKR1B1PTPRACA2
SCHEMBL8319229 0.85 SMN1; SMN2 (0.56) SMN1; SMN2KDM6BAKR1B1PTPRACA2
SCHEMBL16815384 0.85 SMN1; SMN2 (0.56) SMN1; SMN2KDM6BAKR1B1PTPRACA2
SCHEMBL352381 0.85 SMN1; SMN2 (0.56) SMN1; SMN2KDM6BAKR1B1PTPRACA2
SCHEMBL490685 0.85 KMT2A (0.52) IAPPGABRA1GABRB2AKR1B1CA1
SCHEMBL29367333 0.85 SMN1; SMN2 (0.56) SMN1; SMN2KDM6BAKR1B1PTPRACA2
SCHEMBL1700767 0.80 KDM4E (0.56) IAPPALDH1A1EGFRLMNAFYN
SCHEMBL29540097 0.80 KDM4E (0.56) IAPPALDH1A1EGFRLMNAFYN
SCHEMBL157790 0.80 KDM4E (0.56) IAPPALDH1A1EGFRLMNAFYN
SCHEMBL6700169 0.80 IAPP (0.50) IAPPGABRA1GABRB2AKR1B1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206255-A4 COMPOUNDS OBTAINED FROM i SALVIA SPECIES /i HAVING ANTIVIRAL ACTIVITY UNIV GEORGETOWN (US) 2004-02-11 EP claimed
WO-2001000199-A9 COMPOUNDS OBTAINED FROM SALVIA SPECIES HAVING ANTIVIRAL ACTIVITY UNIV GEORGETOWN (US) 2002-06-13 WO claimed
EP-1206255-A1 COMPOUNDS OBTAINED FROM i SALVIA SPECIES /i HAVING ANTIVIRAL ACTIVITY GEORGETOWN UNIVERSITY (US) 2002-05-22 EP claimed
EP-1089747-A1 COMPOUNDS OBTAINED FROM SALVIA SPECIES HAVING ANTIVIRAL ACTIVITY GEORGETOWN UNIVERSITY (US) 2001-04-11 EP claimed
WO-2001000199-A1 COMPOUNDS OBTAINED FROM SALVIA SPECIES HAVING ANTIVIRAL ACTIVITY GEORGETOWN UNIVERSITY (US) 2001-01-04 WO claimed
WO-1999066942-A9 COMPOUNDS OBTAINED FROM SALVIA SPECIES HAVING ANTIVIRAL ACTIVITY UNIV GEORGETOWN (US) 2000-06-22 WO claimed
US-6037369-A ADMINISTERING CAFFEIC ACID OR B-(3,4-DIHYDROXYPHENYL)-LACTIC ACID CONJUGATE GEORGETOWN UNIVERSITY SCHOOL OF MEDICINE (US) 2000-03-14 US claimed
WO-1999066942-A1 COMPOUNDS OBTAINED FROM SALVIA SPECIES HAVING ANTIVIRAL ACTIVITY GEORGETOWN UNIVERSITY (US) 1999-12-29 WO claimed
WO-2019200874-A1 ENGINEERING BACTERIA AND USE THEREOF IN PRODUCTION OF DANSHENSU 江南大学 2019-10-24 WO disclosed
WO-2019200873-A1 RECOMBINANT ESCHERICHIA COLI AND METHOD FOR PRODUCING TANSHINOL BY USING SAME 江南大学 2019-10-24 WO disclosed