SCHEMBL9761249

SCHEMBL9761249

CC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)cc(CCl)c1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PON1 P27169 1/20 0.38
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
ELANE P08246 1/20 0.34
CD69 Q07108 1/20 0.34
CYP2D6 P10635 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
TLR4 O00206 2/20 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
SCHEMBL5819033 0.81 HRH3 (0.34) CYP1A2CYP2C19ELANECD69CYP2D6
SCHEMBL5821162 0.80 GHSR (0.36) CYP1A2CYP2C19ELANECD69CYP2D6
SCHEMBL5437344 0.79 ALDH1A1 (0.37) CYP1A2CYP2C19ELANECD69NPC1
SCHEMBL6903718 0.78 PON1 (0.37) PON1CYP1A2CYP2C19ELANECD69
SCHEMBL25633605 0.76 ELANE (0.36) CYP1A2CYP2C19ELANECD69NPC1
SCHEMBL30430052 0.76 ALDH1A1 (0.35) CYP1A2CYP2C19ELANECD69CYP2D6
SCHEMBL5820431 0.76 ALDH1A1 (0.35) CYP1A2CYP2C19ELANECD69NPC1
SCHEMBL3888554 0.76 ALDH1A1 (0.35) CYP1A2CYP2C19ELANECD69CYP2D6
SCHEMBL40372 0.76 ALDH1A1 (0.45) CYP1A2CYP2C19ELANECD69NPC1
SCHEMBL29459210 0.76 ALDH1A1 (0.45) CYP1A2CYP2C19ELANECD69NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230128-B2 Organometallic fluorenyl compounds, preparations, and use PHILLIPS POTROLEUM COMPANY (US) 2007-06-12 US disclosed
US-7230128-B2 Organometallic fluorenyl compounds, preparations, and use PHILLIPS POTROLEUM COMPANY (US) 2007-06-12 US disclosed
US-5075487-A Charge transfer compounds FUJI XEROX CO., LTD. (JP) 1991-12-24 US disclosed
US-5011757-A Electrophotographic photoreceptor containing a fluorene derivative FUJI XEROX CO., LTD. (JP) 1991-04-30 US disclosed