SCHEMBL29315201

SCHEMBL29315201

CCCCC1CCCCC1NC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
OGA O60502 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP1A2 P05177 1/20 0.38
EPHX1 P07099 7/20 0.38
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL29315198 0.89 CA1 (0.52) MMES1PR1S1PR3CA1CA2
SCHEMBL14089093 0.82 CYP2C9 (0.51) MMECA1CA2CA4OGA
SCHEMBL21860132 0.82 CYP2C9 (0.51) MMECA1CA2CA4OGA
SCHEMBL8604081 0.80 S1PR1 (0.41) MMES1PR1S1PR3EPHX1EPHX2
SCHEMBL2455117 0.80 TAS1R3 (0.48) S1PR1S1PR3CA1
SCHEMBL10341445 0.79 ALDH1A1 (0.40) MMEOGACYP2C9CYP2C19EPHX1
SCHEMBL6529099 0.78 CNR2 (0.43) OGACYP2C9CYP2C19EPHX1PSEN1
SCHEMBL12678517 0.78 CNR2 (0.43) OGACYP2C9CYP2C19EPHX1PSEN1
SCHEMBL27585361 0.78 TRPV1 (0.58)
SCHEMBL2448444 0.77 MME (0.39) MMES1PR1S1PR3CYP2C19EPHX1

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-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed