SCHEMBL7940042

SCHEMBL7940042

CCc1ccc2c(c1C1c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc31)Cc1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
ALDH1A1 P00352 3/20 0.37
CASP3 P42574 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
PLA2G1B P04054 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
HTR7 P34969 2/20 0.33
HTR2B P41595 2/20 0.33
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL28825899 0.72 PNMT (0.44) PNMTNPC1RAB9AALDH1A1CASP3
SCHEMBL7634815 0.71 NPC1 (0.35) PNMTNPC1RAB9AALDH1A1CASP3
SCHEMBL7637434 0.70 NPC1 (0.35) PNMTNPC1RAB9AALDH1A1CASP3
SCHEMBL30122647 0.70 PNMT (0.51) PNMTNPC1RAB9AALDH1A1HTR7
SCHEMBL868504 0.69 ALDH1A1 (0.53) NPC1RAB9AALDH1A1CASP3SENP8
Hydrochloric Acid SCHEMBL27383385 0.69 PNMT (0.46) PNMTNPC1RAB9AALDH1A1CASP3
SCHEMBL3485944 0.68 PNMT (0.49) PNMTNPC1RAB9AALDH1A1HTR7
SCHEMBL18241885 0.68 PNMT (0.49) PNMTNPC1RAB9AALDH1A1HTR7
SCHEMBL27353946 0.68 PNMT (0.49) PNMTNPC1RAB9AALDH1A1HTR7
SCHEMBL30606684 0.66 PNMT (0.68) PNMTNPC1RAB9AALDH1A1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666267-B1 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 2001-04-18 EP disclosed
EP-0512554-B1 Method for making cyclopentadiene type compounds PHILLIPS PETROLEUM CO (US) 1997-09-17 EP disclosed
US-5571880-A CATALYSTS FOR POLYMERIZATION OF OLEFINS ESPECIALLY TO OBTAIN SYNDIOTACTIC POLYMERS PHILLIPS PETROLEUM COMPANY (US) 1996-11-05 US disclosed
US-5541351-A Cyclopentadiene type compounds and method for making PHILLIPS PETROLEUM COMPANY (US) 1996-07-30 US disclosed
EP-0666267-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1995-08-09 EP disclosed
US-5406013-A Cyclopentadiene type compounds and method for making PHILLIPS PETROLEUM COMPANY (US) 1995-04-11 US disclosed
US-5393911-A Cyclopentadiene type compounds and method for making PHILLIPS PETROLEUM COMPANY (US) 1995-02-28 US disclosed
US-5191132-A CYCLOPENTADIENE TYPE COMPOUNDS AND METHOD FOR MAKING PHILLIPS PETROLEUM COMPANY (US) 1993-03-02 US disclosed
EP-0512554-A2 Cyclopetadiene type compounds and method for making PHILLIPS PETROLEUM COMPANY (US) 1992-11-11 EP disclosed