SCHEMBL7718276

SCHEMBL7718276

CCCCCCCCCCCCOc1cc(CBr)c(OCCCCCCCCCCCC)cc1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTPN11 Q06124 4/20 0.41
S1PR3 Q99500 1/20 0.41
TLR8 Q9NR97 1/20 0.41
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NR5A1 Q13285 1/20 0.40

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
SCHEMBL3277560 1.00 MAPT (0.42) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL5981361 1.00 MAPT (0.42) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL4600904 1.00 MAPT (0.42) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL7595428 0.93 HTR2A (0.49) ALDH1A1THRBHTR2ASMPD1
SCHEMBL3374326 0.92 CYP1A2 (0.42) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL4554136 0.91 HTR2A (0.41) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL28837486 0.90 NPSR1 (0.43) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL18901380 0.90 SMPD1 (0.43) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL29612144 0.90 PPARG (0.39) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL29612121 0.90 PPARG (0.39) MAPTALDH1A1GAATHRBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3173435-B1 SEMICONDUCTING MIXTURES RAYNERGY TEK INC (TW) 2020-11-25 EP disclosed
EP-3173435-A1 SEMICONDUCTING MIXTURES Merck Patent GmbH (DE) 2017-05-31 EP disclosed
US-20130306917-A1 QUINONE COMPOUNDS FOR USE IN PHOTOVOLTAIC APPLICATION RHODIA OPERATIONS (FR) 2013-11-21 US disclosed
US-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed
US-20020185634-A1 Two-photon or higher-order absorbing optical materials and methods of use CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-12-12 US disclosed
US-6267913-B1 IN HOLOGRAPHYL, BIOLOGY, OPTICAL DATA STORAGE CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-07-31 US disclosed
WO-1998021521-A1 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS AND METHODS OF USE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-05-22 WO disclosed
US-5064572-A Poly (long-chain nuclear substituted phenylene vinylene), precursor therefor and highly conductive composition thereof AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1991-11-12 US disclosed