SCHEMBL27831715

SCHEMBL27831715

CCOC(=O)c1ccccc1Oc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
KDM4E B2RXH2 3/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 6/20 0.51
HSD17B10 Q99714 1/20 0.51
NPSR1 Q6W5P4 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GPR55 Q9Y2T6 1/20 0.51
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 3/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL4397330 0.89 TSHR (0.61) TSHRKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL538560 0.89 SMN1; SMN2 (0.68) TSHRKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL1656572 0.88 TSHR (0.51) TSHRKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL28160008 0.87 ALDH1A1 (0.58) TSHRKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL10953526 0.87 TSHR (0.57) TSHRKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL1960348 0.87 TSHR (0.50) TSHRKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL11424711 0.87 TSHR (0.57) TSHRKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL28794416 0.86 TSHR (0.53) TSHRKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL11455143 0.86 SMN1; SMN2 (0.54) TSHRKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL28974979 0.85 TSHR (0.74) TSHRKDM4ELMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008322-A BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE 公司 2016-10-12 CN disclosed
CN-104945311-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC 2015-09-30 CN disclosed
CN-102282128-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC 2015-06-17 CN disclosed
CN-102307872-A BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases ABBOTT LAB 2012-01-04 CN disclosed
CN-102282128-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 2011-12-14 CN disclosed