SCHEMBL30595751

SCHEMBL30595751

C1=Cc2c(cc(N3CCCCC3)c3ccccc23)OC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NCF1 P14598 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AR P10275 2/20 0.37
CYP2B6 P20813 1/20 0.37
HPGD P15428 1/20 0.37
METAP1 P53582 1/20 0.36
KEAP1 Q14145 1/20 0.36
CTSB P07858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A1 P04798 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP1B1 Q16678 2/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL30478411 0.87 PRKDC (0.48) PRKDCALDH1A1NCF1KDM4EL3MBTL1
SCHEMBL6671643 0.72 CYP1A2 (0.48) CYP2B6CYP1A1CYP1A2CYP1B1
SCHEMBL3037409 0.72 CYP2B6 (0.42) ALDH1A1CYP2B6HPGDMEN1KMT2A
SCHEMBL5707978 0.70 NCF1 (0.40) PRKDCALDH1A1NCF1KDM4EL3MBTL1
SCHEMBL29756136 0.65 CA12 (0.47) ALDH1A1KDM4EL3MBTL1CYP2B6HPGD
SCHEMBL87841 0.65 CA12 (0.47) ALDH1A1KDM4EL3MBTL1CYP2B6HPGD
SCHEMBL1041972 0.65 CA12 (0.47) ALDH1A1KDM4EL3MBTL1CYP2B6HPGD
SCHEMBL372269 0.65 HPRT1 (0.47) ALDH1A1KDM4ECYP2B6HPGDMEN1
SCHEMBL31060240 0.64 PRKDC (1.00) PRKDCALDH1A1
SCHEMBL3094346 0.62 CYP1A2 (0.37) CYP2B6KMT2ACYP1A1CYP1A2CYP1B1

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-112041350-B Ophthalmic devices containing UV blockers and methods of making the same 鲍希与洛姆伯股份有限公司 2023-10-03 CN disclosed