SCHEMBL8986985

SCHEMBL8986985

COc1ccc(-c2cc(-c3ccccc3)cc(=O)[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.59
MAP2K1 Q02750 1/20 0.59
ALDH1A1 P00352 6/20 0.59
HPGD P15428 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 5/20 0.53
THRB P10828 1/20 0.53
PKM P14618 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
GPR84 Q9NQS5 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SCN2A Q99250 1/20 0.50

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
SCHEMBL8987032 1.00 KDM4E (0.59) KDM4EMAP2K1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8986959 0.94 ALDH1A1 (0.66) KDM4EMAP2K1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8987485 0.89 ALDH1A1 (0.51) KDM4EMAP2K1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8800017 0.86 GAA (0.55) KDM4EMAP2K1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8987170 0.86 ALDH1A1 (0.57) KDM4EMAP2K1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8987371 0.86 ALDH1A1 (0.57) KDM4EMAP2K1ALDH1A1HPGDSMN1; SMN2
SCHEMBL28132423 0.86 ALDH1A1 (0.57) KDM4EMAP2K1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8987301 0.86 GAA (0.59) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6756097 0.85 TAS2R38 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL8799713 0.82 HPGD (0.51) KDM4EALDH1A1HPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106496130-B A kind of methyl ketone derivatives and the preparation method and application thereof 苏州大学 2019-09-20 CN claimed
CN-106496130-B A kind of methyl ketone derivatives and the preparation method and application thereof 苏州大学 2019-09-20 CN disclosed
CN-106496130-A A kind of methyl ketone derivatives and preparation method and application 苏州大学 2017-03-15 CN disclosed
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed