SCHEMBL27485331

SCHEMBL27485331

Cc1cccc(C)c1C(=O)c1c(C)cc(C)c(C(=O)[P](=O)c2ccccc2)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP19A1 P11511 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ GPR52 Q9Y2T5 1/20 0.31
▸ BCL2L1 Q07817 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ AKR1B10 O60218 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ DHFR P00374 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MPO P05164 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL27194792 0.88 BCL2L1 (0.40) KMT2AALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL27483932 0.86 CYP2C9 (0.33) CYP3A4CYP2C9KMT2AKDM4EALDH1A1
SCHEMBL28049095 0.83 L3MBTL1 (0.40) CYP3A4CYP2C9KMT2AKDM4EALDH1A1
SCHEMBL27499051 0.80 NFE2L2 (0.35) KMT2AALDH1A1HPGDMEN1LMNA
SCHEMBL27499973 0.80 ABCB1 (0.37) CYP3A4CYP2C9KMT2AKDM4EALDH1A1
SCHEMBL27554102 0.78 CRHR1 (0.36) KMT2AKDM4EALDH1A1HPGDMEN1
SCHEMBL28221660 0.77 RAB9A (0.34) KDM4ETDP1LMNAPTGS2CRHR1
SCHEMBL615242 0.77 LMNA (0.37) KMT2AKDM4EHPGDL3MBTL1MEN1
SCHEMBL28781833 0.75 LMNA (0.36) KMT2AKDM4EHPGDL3MBTL1MEN1
Ammonia Solution, Strong SCHEMBL2909573 0.75 LMNA (0.36) KMT2AKDM4EALDH1A1HPGDL3MBTL1

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
CN-1200943-C Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2005-05-11 — — CN disclosed
CN-1308081-A Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2001-08-15 — — CN disclosed
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