SCHEMBL28369352

SCHEMBL28369352

CCCn1c2ccccc2c2cccc(C=O)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.46
PIM3 Q86V86 3/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
POLB P06746 3/20 0.45
IMPDH2 P12268 1/20 0.45
PGR P06401 2/20 0.44
RORA P35398 1/20 0.44
RORC P51449 1/20 0.44
RORB Q92753 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL11452387 0.91 PGR (0.56) PIM1PIM3ALDH1A1HPGDIMPDH2
SCHEMBL11453521 0.89 PSEN1 (0.56) PIM1PIM3ALDH1A1HPGDPGR
SCHEMBL3057272 0.88 ALDH1A1 (0.50) PIM1PIM3ALDH1A1HPGDPOLB
SCHEMBL11454471 0.79 CYP19A1 (0.59) ALDH1A1POLBPGRKDM4ELMNA
SCHEMBL11496576 0.79 ALDH1A1 (0.42) PIM1PIM3ALDH1A1HPGDIMPDH2
SCHEMBL20363636 0.78 ALKBH5 (0.61) ALDH1A1HPGDPOLBPGRRORA
SCHEMBL27943815 0.77 PGR (0.49) ALDH1A1PGRRORARORCRORB
SCHEMBL28233487 0.76 CNR2 (0.48) ALDH1A1HPGDPOLBPGRRORA
SCHEMBL27867696 0.76 PGR (0.52) PIM1PIM3ALDH1A1HPGDPGR
SCHEMBL153959 0.76 ALDH1A1 (0.62) ALDH1A1HPGDPOLBPGRRORA

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
CN-110759852-A Preparation method of 3-hydroxymethyl-9-substituted carbazole 陕西科技大学 2020-02-07 CN disclosed