SCHEMBL4038699

SCHEMBL4038699

COc1cc(C=O)c(-c2cccc(Br)c2)c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 12/20 0.44
PRKDC P78527 1/20 0.44
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL4033843 0.84 PRKDC (0.47) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL11763981 0.84 ERN1 (0.46) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL18529824 0.81 ERN1 (0.48) ERN1PRKDCEGFRERBB2ALDH1A1
SCHEMBL14427622 0.79 ERN1 (0.58) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL2743529 0.78 ALDH1A1 (0.57) ERN1PRKDCALDH1A1KDM4ETSHR
SCHEMBL15225994 0.78 PDGFRB (0.41) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL4038581 0.74 ALDH1A1 (0.47) ERN1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL15226073 0.72 ALDH1A1 (0.48) ERN1ALDH1A1
SCHEMBL2743635 0.72 PRKDC (0.58) ERN1PRKDCEGFRALDH1A1KDM4E
SCHEMBL29191184 0.71 CA1 (0.41) ERN1EGFRERBB2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066632-B1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARM CORP (KR) 2013-09-04 EP disclosed
EP-2066632-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE Chong Kun Dang Pharmaceutical Corp. (KR) 2009-06-10 EP disclosed
WO-2008038955-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-04-03 WO disclosed