SCHEMBL7270823

SCHEMBL7270823

Cc1ccc(-c2cc3c(c4ccccc24)C=CC(c2ccccc2)(c2ccccc2)O3)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.37
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAOB P27338 2/20 0.31
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
LTB4R Q15722 1/20 0.31
HPRT1 P00492 1/20 0.31
PLK1 P53350 1/20 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
SCHEMBL13219268 0.86 GPR84 (0.37) GPR84MAOB
SCHEMBL3701217 0.81 ACACA (0.43) GPR84NPC1RAB9A
SCHEMBL13488505 0.80 GPR84 (0.35) GPR84NPC1RAB9ANPSR1
SCHEMBL7269803 0.79 MAPT (0.33) GPR84NPC1RAB9A
SCHEMBL13219265 0.76 CNR1 (0.32)
SCHEMBL12618090 0.76 NCF1 (0.43) HTTNPSR1
SCHEMBL13699530 0.76 ALDH1A1 (0.36) NPC1RAB9AHTTNPSR1
SCHEMBL13240239 0.75 KIF11 (0.36)
SCHEMBL3032481 0.70
SCHEMBL30284405 0.70 KDM4E (0.50) GPR84NPC1HTTHPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630597-B1 Photochromic 6-aryl substituted 3H-naphtho(2, 1-b)pyran compounds, examples of which are naphthopyran compounds having a substituted aryl group at the number 6 carbon atom and certain substituents at the 3-position of the pyran ring TRANSITIONS OPTICAL, INC. 2003-10-07 US claimed
US-10758643-B2 Mechanophoric medical product AESCULAP AG (DE) 2020-09-01 US disclosed
EP-3331581-B1 MECHANOPHORIC MEDICAL PRODUKT AESCULAP AG (DE) 2020-07-08 EP disclosed
US-20190151502-A1 Mechanophoric Medical Product AESCULAP AG (DE) 2019-05-23 US disclosed
EP-3331581-A1 MECHANOPHORIC MEDICAL PRODUCT Aesculap AG (DE) 2018-06-13 EP disclosed
WO-2017025408-A1 MECHANOPHORIC MEDICAL PRODUCT AESCULAP AG (DE) 2017-02-16 WO disclosed
US-6630597-B1 Photochromic 6-aryl substituted 3H-naphtho(2, 1-b)pyran compounds, examples of which are naphthopyran compounds having a substituted aryl group at the number 6 carbon atom and certain substituents at the 3-position of the pyran ring TRANSITIONS OPTICAL, INC. 2003-10-07 US disclosed