SCHEMBL2877880

SCHEMBL2877880

Cc1ccc2cc(C(F)(F)F)cc(O)c2n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.49
CCR1 P32246 1/20 0.42
RAB9A P51151 1/20 0.42
CCR5 P51681 1/20 0.42
OPRK1 P41145 1/20 0.40
KMT2A Q03164 1/20 0.40
NFKBIA P25963 2/20 0.39
RELA Q04206 2/20 0.39
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BACE1 P56817 1/20 0.34
IL1B P01584 3/20 0.34
LMNA P02545 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
SCHEMBL3332400 0.81 CCR1 (0.43) METAP2CCR1RAB9ACCR5NFKBIA
SCHEMBL20838513 0.79 RAB9A (0.42) METAP2CCR1RAB9ACCR5NFKBIA
SCHEMBL729647 0.78 METAP2 (0.55) METAP2CCR1RAB9ACCR5OPRK1
SCHEMBL3275027 0.76 METAP2 (0.57) METAP2CCR1RAB9ACCR5OPRK1
SCHEMBL13750296 0.75 KDM4E (0.40) OPRK1KMT2AKDM4EALDH1A1GAA
SCHEMBL20838511 0.74 PTPN5 (0.49) KMT2ANFKBIARELAALDH1A1
SCHEMBL20838507 0.73 NFKBIA (0.53) KMT2ANFKBIARELAKDM4EMAPT
SCHEMBL3711580 0.73 METAP2 (0.53) METAP2CCR1RAB9ACCR5OPRK1
SCHEMBL5090080 0.69 BACE1 (0.62) METAP2RAB9AKMT2ANFKBIARELA
SCHEMBL16533303 0.69 METAP2 (0.49) METAP2CCR1RAB9ACCR5OPRK1

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-7709102-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2010-05-04 US claimed
EP-2166583-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT PREPARED BY USING THE MATERIAL Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 EP disclosed
US-7579090-B2 Organic element for electroluminescent devices EASTMAN KODAK COMPANY (US) 2009-08-25 US disclosed
US-7579090-B2 Organic element for electroluminescent devices EASTMAN KODAK COMPANY (US) 2009-08-25 US disclosed
US-7476451-B2 Electroluminescent element and light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-01-13 US disclosed
CN-1284420-C Luminous body, luminous device and luminous display device NEC CORP (KR) 2006-11-08 CN disclosed
CN-1386039-A Luminous body, luminous device and luminous display device NEC CORP (JP) 2002-12-18 CN disclosed