SCHEMBL7147761

SCHEMBL7147761

C[C](ON1C(C)(C)CCCC1(C)C)c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 4/20 0.37
USP2 O75604 1/20 0.37
ALOX12 P18054 1/20 0.37
POLB P06746 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HPGD P15428 1/20 0.34
DUSP3 P51452 2/20 0.33
PTPN5 P54829 2/20 0.33
PTPN11 Q06124 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ESR1 P03372 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OGG1 O15527 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 2/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 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
SCHEMBL5485349 0.85 ESR1 (0.39) ALDH1A1HPGDESR1HSD17B10MAPT
SCHEMBL5471885 0.79 ESR1 (0.49) LMNATP53ALDH1A1POLBHPGD
SCHEMBL6544700 0.73 GAA (0.54) LMNAALDH1A1HPGDESR1HSD17B10
SCHEMBL5471958 0.70 ALDH1A1 (0.32) ALDH1A1OPRD1ESR1HSD17B10TSHR
SCHEMBL7534625 0.68 LMNA (0.38) LMNATP53POLB
SCHEMBL27403915 0.68 TSHR (0.49) TP53ALDH1A1ESR1HSD17B10MAPT
SCHEMBL7534627 0.67 LMNA (0.40) LMNATP53HPGDKDM4EMAOB
SCHEMBL10717862 0.66 GAA (0.43) ALDH1A1HPGDKDM4EESR1HSD17B10
SCHEMBL4625144 0.66 KMT2A (0.61) LMNAALDH1A1HPGDESR1HSD17B10
SCHEMBL986872 0.65 TSHR (0.41) ALDH1A1ESR1HSD17B10TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6512070-B2 Comprise both a light emitting segment and a charge transport segment; may be A-B-A triblock copolymers, brush-type graft copolymers, or variations thereof. INTERNATIONAL BUSINESS MACHINES CORPORATION 2003-01-28 US disclosed
US-20020045719-A1 Dual purpose electroactive copolymers HAWKER CRAIG JON (US) 2002-04-18 US disclosed
US-6355756-B1 GRAFT AND BLOCK POLYMERIZATION OF DIHALO-SUBSTITUTED POLYCYCLIC COMPOUNDS USING FREE RADICAL POLYMERIZATION CATALYST; SYNTHESIZING CHARGE TRANSPORT SEGMENTS; LIGHT EMITTING DIODES INTERNATIONAL BUSINESS MACHINES CORPORATION 2002-03-12 US disclosed