SCHEMBL9059841

SCHEMBL9059841

O=C(Cc1ccc(CO)cc1)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
SENP1 Q9P0U3 2/20 0.45
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
UCHL1 P09936 1/20 0.39
USP5 P45974 1/20 0.39
USP4 Q13107 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL31226055 0.87 KMT2A (0.55) SMN1; SMN2SENP1KMT2AALDH1A1HPGD
SCHEMBL31226071 0.86 SENP1 (0.61) SMN1; SMN2SENP1CYP4F2CYP4A11KMT2A
SCHEMBL31225821 0.84 KMT2A (0.52) SMN1; SMN2SENP1KMT2AALDH1A1L3MBTL1
SCHEMBL6937307 0.84 SMN1; SMN2 (0.67) SMN1; SMN2SENP1KMT2AALDH1A1HPGD
SCHEMBL31225539 0.83 KMT2A (0.51) SMN1; SMN2SENP1KMT2AALDH1A1HPGD
SCHEMBL31225855 0.81 SMN1; SMN2 (0.44) SMN1; SMN2SENP1CYP4F2CYP4A11KMT2A
SCHEMBL5715921 0.81 SMN1; SMN2 (0.50) SMN1; SMN2SENP1KMT2AL3MBTL1MAPT
SCHEMBL31225490 0.81 SMN1; SMN2 (0.55) SMN1; SMN2SENP1KMT2AALDH1A1UCHL1
SCHEMBL7122486 0.80 L3MBTL1 (0.50) SMN1; SMN2CYP4F2CYP4A11KMT2AALDH1A1
SCHEMBL14744261 0.79 PSIP1 (0.45) SMN1; SMN2SENP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0305929-B1 Membranes with bound oligonucleotides and peptides MILLIPORE CORP (US) 1996-04-10 EP disclosed
US-5395849-A Hybrid antitumor compounds containing a cyclic enediyne and a DNA-binder BRISTOL-MYERS SQUIBB COMPANY (US) 1995-03-07 US disclosed
US-4923901-A Membranes with bound oligonucleotides and peptides MILLIPORE CORPORATION (US) 1990-05-08 US disclosed
EP-0305929-A2 Membranes with bound oligonucleotides and peptides MILLIPORE CORPORATION (US) 1989-03-08 EP disclosed