SCHEMBL4601631

SCHEMBL4601631

CCCOc1ccccc1-c1ccc(C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
KDM4E B2RXH2 10/20 0.52
MAPT P10636 2/20 0.50
RAB9A P51151 1/20 0.50
EGFR P00533 2/20 0.49
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 3/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ADRB2 P07550 1/20 0.48
MAPK1 P28482 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL7328965 0.91 KDM4E (0.55) L3MBTL1TDP1KDM4EMAPTEGFR
SCHEMBL2039160 0.89 KDM4E (0.58) L3MBTL1TDP1KDM4EMAPTRAB9A
SCHEMBL8014661 0.84 RXRA (0.61) L3MBTL1TDP1KDM4EEGFRALDH1A1
SCHEMBL4601625 0.83 EGFR (0.53) L3MBTL1TDP1KDM4EMAPTRAB9A
SCHEMBL2050621 0.82 EGFR (0.56) L3MBTL1MAPTRAB9AEGFRSMN1; SMN2
SCHEMBL29788043 0.82 EGFR (0.56) L3MBTL1MAPTRAB9AEGFRSMN1; SMN2
SCHEMBL20021919 0.81 BCL9 (0.54) KDM4EMAPTRAB9AALDH1A1MEN1
SCHEMBL536427 0.79 MAPT (0.59) KDM4EMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL27301114 0.78 ADRB2 (0.63) KDM4ERAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL1389258 0.78 ADRB2 (0.67) KDM4ERAB9AALDH1A1SMN1; SMN2PKM

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
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO disclosed