SCHEMBL7748877

SCHEMBL7748877

CCCCOc1ccccc1-c1ccc(-c2ccc(C(=O)O)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
HPGD P15428 4/20 0.63
MAPT P10636 2/20 0.63
KDM4E B2RXH2 6/20 0.54
TDP1 Q9NUW8 2/20 0.54
HSD17B10 Q99714 1/20 0.54
PTGER4 P35408 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46

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
SCHEMBL7336567 0.82 ALDH1A1 (0.58) ALDH1A1HPGDTDP1SMN1; SMN2MEN1
SCHEMBL2572335 0.78 ALDH1A1 (0.59) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL10706756 0.77 ADRB2 (0.65) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6266863 0.76 RARB (0.63) KDM4ERXRARXRBRXRG
SCHEMBL3977527 0.76 RARB (0.63) KDM4ERXRARXRBRXRG
SCHEMBL8769909 0.76 RARB (0.63) KDM4ERXRARXRBRXRG
SCHEMBL7331535 0.76 RARB (0.63) KDM4ERXRARXRBRXRG
SCHEMBL10871804 0.76 RARB (0.63) KDM4ERXRARXRBRXRG
SCHEMBL8986580 0.76 RARB (0.63) KDM4ERXRARXRBRXRG
SCHEMBL9799861 0.76 RARB (0.63) KDM4ERXRARXRBRXRG

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
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed