SCHEMBL5590875

SCHEMBL5590875

O=C(O)CC1=CCC(=O)N1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.32
ITGB2 P05107 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
ITGA5 P08648 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGAL P20701 1/20 0.32
AKR1B1 P15121 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRR2 P28476 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL14785349 0.64
SCHEMBL30910833 0.64
SCHEMBL10583146 0.64
SCHEMBL20718281 0.64
SCHEMBL21081714 0.62 AKR1B1 (0.40) AKR1B1ALDH1A1CYP3A4GABRA1TSHR
SCHEMBL16736442 0.61 CRBN (0.35)
SCHEMBL24664708 0.61
SCHEMBL4536956 0.60 AKR1B1 (0.33) AKR1B1CA2CAMK2A
SCHEMBL11019130 0.58 GABRA1 (0.35) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL7894436 0.58 AKR1B1 (0.33) AKR1B1ALDH1A1TSHRNFKB1CA2

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
JP-2007039588-A SUBPORPHYRIN COMPOUND, PROCESS FOR ITS PRODUCTION AND ITS APPLICATION KYOTO UNIV 2007-02-15 JP disclosed