SCHEMBL11684698

SCHEMBL11684698

O=Cc1ccc(OCCO)c(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDO1 P14902 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.37
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
ERN1 O75460 1/20 0.35
TUBB1 Q9H4B7 1/20 0.34

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
SCHEMBL11068973 0.83 IDO1 (0.48) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9717613 0.82 PTGDR2 (0.44) ALDH1A1HPGDSMN1; SMN2HTTTP53
SCHEMBL9717515 0.81 FFAR4 (0.48) ALDH1A1HPGDSMN1; SMN2HTTTSHR
SCHEMBL9717536 0.80 FFAR4 (0.44) ALDH1A1HPGDSMN1; SMN2HTTTSHR
SCHEMBL5882305 0.79 ERN1 (0.50) ALDH1A1HPGDSMN1; SMN2HTTTP53
SCHEMBL30902395 0.79 ERN1 (0.50) ALDH1A1HPGDSMN1; SMN2HTTTP53
SCHEMBL9717537 0.79 FFAR4 (0.44) ALDH1A1HPGDTSHRPTGDR2KDM4E
SCHEMBL29752542 0.76 TSHR (0.45) ALDH1A1HPGDSMN1; SMN2HTTCYP3A4
SCHEMBL10359843 0.76 CYP3A4 (0.47) ALDH1A1HPGDSMN1; SMN2TP53CYP1A2
SCHEMBL149947 0.75 IDO1 (0.60) ALDH1A1HPGDSMN1; SMN2HTTTDP1

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-4053415-A UNSATURATED POLYESTER ETHER HAVING A PHOTOCROSSLINKABLE MOIETY FUJI PHOTO FILM CO., LTD. (JA) 1977-10-11 US disclosed