SCHEMBL27760876

SCHEMBL27760876

[CH2]Cc1ccc(-c2cc(C(=O)O)ccc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 2/20 0.49
▸ PTGER1 P34995 1/20 0.46
▸ FOLH1 Q04609 1/20 0.43
▸ MAPK14 Q16539 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GRK6 P43250 1/20 0.41
▸ PRKAB2 O43741 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAG3 Q9UGI9 1/20 0.41
▸ PRKAG2 Q9UGJ0 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ BAD Q92934 1/20 0.41
▸ TTR P02766 1/20 0.40

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
SCHEMBL27760928 0.81 GRIK1 (0.52) RARBFOLH1MAPK14RXRARXRB
SCHEMBL27782559 0.81 TSHR (0.49) RARBFOLH1MAPK14PRKAB2PRKAG1
SCHEMBL16554362 0.80 TSHR (0.55) KDM4ELMNAHSD17B10BCL2L1BAD
SCHEMBL3215926 0.80 KMO (0.52) PTGER1KDM4ELMNAHSD17B10BCL2L1
SCHEMBL16554472 0.80 PTGER1 (0.52) PTGER1KDM4ETTRALDH1A1KMT2A
SCHEMBL2555397 0.79 MAPT (0.48) RARBPTGER1MAPK14KDM4ELMNA
SCHEMBL2560576 0.76 ALDH1A1 (0.56) RARBPTGER1MAPK14KDM4ELMNA
SCHEMBL129853 0.75 ALDH1A1 (0.60) RARBKDM4EALDH1A1MAPTL3MBTL1
SCHEMBL2744832 0.75 SLC22A12 (0.56) RARBKDM4ELMNAHSD17B10
SCHEMBL31038313 0.75 CA1 (0.58) KDM4ELMNAPRKAB2PRKAG1PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506155-A Biphenyl derivatives and their use in the treatment of hepatitis C ARROW THERAPEUTICS LTD (GB) 2009-08-12 — — CN disclosed
Send feedback