SCHEMBL29633762

SCHEMBL29633762

COc1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 8/20 0.58
DRD2 P14416 7/20 0.58
DRD5 P21918 7/20 0.58
DRD3 P35462 7/20 0.58
DRD4 P21917 5/20 0.58
ALDH1A1 P00352 5/20 0.57
MAPT P10636 4/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TP53 P04637 1/20 0.56
CYP2D6 P10635 1/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
METAP1 P53582 2/20 0.54

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
SCHEMBL2914928 1.00 DRD1 (0.58) DRD1DRD2DRD5DRD3DRD4
SCHEMBL3287680 0.92 ALDH1A1 (0.56) DRD1DRD2DRD5DRD3DRD4
SCHEMBL10692678 0.91 METAP1 (0.63) DRD1DRD2DRD5DRD3DRD4
SCHEMBL30777630 0.90 METAP1 (0.63) DRD1DRD2DRD5DRD3DRD4
SCHEMBL4581239 0.90 METAP1 (0.63) DRD1DRD2DRD5DRD3DRD4
SCHEMBL10623445 0.86 ALDH1A1 (0.64) DRD1DRD2DRD5DRD3DRD4
SCHEMBL1480944 0.86 ALDH1A1 (0.56) DRD1DRD2DRD5DRD3DRD4
SCHEMBL6900363 0.86 DRD1 (0.74) DRD1DRD2DRD5DRD3DRD4
SCHEMBL14007350 0.84 ALDH1A1 (0.61) DRD1DRD2DRD5DRD3DRD4
SCHEMBL7040518 0.83 DRD1 (0.57) DRD1DRD2DRD5DRD3DRD4

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
WO-2022103983-A9 FLUORENYLMETHYLOXYCARBONYL AND FLUORENYLMETHYLAMINOCARBONYL COMPOUNDS, PROTEIN CONJUGATES THEREOF, AND METHODS FOR THEIR USE SUTRO BIOPHARMA, INC. (US) 2022-06-09 WO disclosed
WO-2022103983-A2 FLUORENYLMETHYLOXYCARBONYL AND FLUORENYLMETHYLAMINOCARBONYL COMPOUNDS, PROTEIN CONJUGATES THEREOF, AND METHODS FOR THEIR USE SUTRO BIOPHARMA, INC. (US) 2022-05-19 WO disclosed