SCHEMBL28053712

SCHEMBL28053712

CCC(CCC(C(=O)O)(C(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.41
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
LMNA P02545 2/20 0.38
CCR5 P51681 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 2/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
RIPK1 Q13546 1/20 0.37
CYP2D6 P10635 1/20 0.37
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28053820 0.84 LMNA (0.40) KIF11CNR1CNR2LMNACCR5
SCHEMBL28053807 0.81 RIPK1 (0.56) KIF11CNR1CNR2MTNR1AMTNR1B
SCHEMBL3489323 0.79 MEN1 (0.41) LMNACCR5MAPTCYP1A2GABBR2
SCHEMBL28004294 0.78 CYP2D6 (0.46) KIF11LMNAMAPTCYP1A2CYP2D6
SCHEMBL23009730 0.78 RIPK1 (0.40) KIF11LMNACCR5MAPTCYP1A2
SCHEMBL28053819 0.78 AOC3 (0.41) CNR1CNR2LMNAMAPTCYP1A2
SCHEMBL28826292 0.76 RIPK1 (0.50) KIF11CNR1CNR2CYP1A2RIPK1
SCHEMBL27263782 0.76 CYP2C19 (0.44) KIF11LMNAMAPTCYP1A2CYP2D6
SCHEMBL21269871 0.74 CYP2C19 (0.42) KIF11LMNAMAPTCYP1A2CYP2D6
SCHEMBL21269765 0.74 CYP2C19 (0.42) KIF11LMNAMAPTCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN claimed
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN disclosed