SCHEMBL9404104

SCHEMBL9404104

O=C(Cl)OCCCc1c2ccccc2cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
CASP6 P55212 1/20 0.41
HTR2A P28223 1/20 0.41
RAD52 P43351 1/20 0.40
EPHX1 P07099 1/20 0.40
MCL1 Q07820 7/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
GPR35 Q9HC97 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
BCL2 P10415 5/20 0.38

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
SCHEMBL9404143 0.90 L3MBTL1 (0.47) L3MBTL1HTR2ARAD52EPHX1ALDH1A1
SCHEMBL8372934 0.84 RAD52 (0.57) L3MBTL1CASP6HTR2ARAD52EPHX1
SCHEMBL9404120 0.81 MTNR1A (0.44) ALDH1A1KDM4E
SCHEMBL29503776 0.81 THRB (0.50) L3MBTL1CASP6HTR2ARAD52EPHX1
SCHEMBL3292664 0.80 EPHX1 (0.54) L3MBTL1CASP6HTR2AEPHX1ALDH1A1
SCHEMBL15941298 0.77 L3MBTL1 (0.46) L3MBTL1HTR2ARAD52EPHX1ALDH1A1
SCHEMBL28989641 0.77 THRB (0.49) L3MBTL1HTR2ARAD52EPHX1ALDH1A1
SCHEMBL28989675 0.76 TSHR (0.45) L3MBTL1CASP6HTR2ARAD52EPHX1
SCHEMBL28989662 0.76 TSHR (0.51) RAD52EPHX1ALDH1A1HPGDHSD17B10
SCHEMBL20917775 0.76 L3MBTL1 (0.44) L3MBTL1CASP6HTR2ARAD52EPHX1

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-0365495-B1 9-Anthrylalkyl compounds, their preparation and their use EKA NOBEL AB (SE) 1994-03-16 EP disclosed
US-5128120-A Use of 9-anthrylalkyl compounds as derivatization reagents for separation and detection purposes EKA NOBEL AB (SE) 1992-07-07 US disclosed
US-5015755-A 9-anthrylalkyl compounds EKA NOBEL AB (SE) 1991-05-14 US disclosed
EP-0365495-A2 9-Anthrylalkyl compounds, their preparation and their use Eka Nobel Aktiebolag (SE) 1990-04-25 EP disclosed