SCHEMBL881431

SCHEMBL881431

Bc1cc(C=O)cc(B)c1O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ ALDH5A1 P51649 3/20 0.40
▸ ABAT P80404 3/20 0.40
▸ SRC P12931 1/20 0.36
▸ ERN1 O75460 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ AOX1 Q06278 1/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ TRIM24 O15164 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TRIM33 Q9UPN9 1/20 0.33

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
SCHEMBL25960041 0.88 XDH (0.50) KDM4EPTGS2RAB9AXDHALDH5A1
SCHEMBL12687888 0.84 SRC (0.47) PTGS2XDHSRCERN1
SCHEMBL14154067 0.84 ERN1 (0.44) KDM4EPTGS2RAB9AXDHERN1
SCHEMBL9888329 0.80 ALDH1A1 (0.53) KDM4EPTGS2ALDH5A1ABATERN1
SCHEMBL14178534 0.75 KDM4E (0.60) KDM4EALDH1A1HPGD
SCHEMBL8020591 0.73 KDM4E (0.64) KDM4EPTGS2RAB9AXDHALDH5A1
SCHEMBL132439 0.72 XDH (0.59) KDM4EPTGS2RAB9AXDHALDH5A1
SCHEMBL27935044 0.72 XDH (0.59) KDM4EPTGS2RAB9AXDHALDH5A1
SCHEMBL1488401 0.70 ERN1 (0.61) KDM4EPTGS2RAB9AXDHALDH5A1
Water SCHEMBL36578 0.70 XDH (0.57) KDM4EPTGS2RAB9AXDHALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295512-A1 LIQUID CRYSTAL POLYESTER AND FILM COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 — — US disclosed
WO-2011143669-A2 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA-FARBER CANCER INSTITUTE, INC (US) 2011-11-17 — — WO disclosed
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