SCHEMBL15422730

SCHEMBL15422730

CCC(C)CCCC(CC(=O)O)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1A O00555 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNB1 Q02641 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
F2R P25116 1/20 0.31
FFAR1 O14842 4/20 0.31
MEN1 O00255 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL6029295 0.89 MMP2 (0.36) CACNA1ACACNA2D1CACNB1NPC1RAB9A
SCHEMBL132431 0.82 CACNA1A (0.40) CACNA1ACACNA2D1CACNB1CYP1A2CYP3A4
SCHEMBL27170339 0.82 CACNA1A (0.43) CACNA1ACACNA2D1CACNB1CYP1A2CYP3A4
SCHEMBL15422728 0.80 PTGES (0.36) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL224452 0.79 MMP2 (0.36) CACNA1ACACNA2D1CACNB1PPARA
SCHEMBL3830756 0.78 NPC1 (0.45) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL4941317 0.77 NPC1 (0.41) CACNA1ACACNA2D1CACNB1CYP1A2CYP3A4
SCHEMBL28548681 0.76 NPC1 (0.34) CACNA1ACACNA2D1CACNB1CYP1A2CYP3A4
SCHEMBL25355838 0.75 L3MBTL1 (0.34) CACNA1ACACNA2D1CACNB1NPC1RAB9A
SCHEMBL208253 0.75 PRKCZ (0.32) CACNA1ACACNA2D1CACNB1ALDH1A1

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
US-9657228-B2 Performance boosting UV-absorbing compounds ISP INVESTMENTS LLC (US) 2017-05-23 US disclosed
US-20140023601-A1 PERFORMANCE BOOSTING UV-ABSORBING COMPOUNDS ISP INVESTMENT INC. (US) 2014-01-23 US disclosed