SCHEMBL6480314

SCHEMBL6480314

CCCCCCCCNNNNNN

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.42
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
THRB P10828 1/20 0.36
DNM1 Q05193 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARA Q07869 2/20 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
SCHEMBL18033875 1.00 EPHX1 (0.42) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL9659484 1.00 EPHX1 (0.42) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL9658155 1.00 EPHX1 (0.42) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL10007742 1.00 EPHX1 (0.42) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL38663372 1.00 EPHX1 (0.42) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL30520774 1.00 EPHX1 (0.42) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL30632240 1.00 EPHX1 (0.42) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL30859230 0.98 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL9102513 0.98 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL14294130 0.91 ALOX15 (0.38) TSHRALDH1A1ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924147-B2 Method of making a polymeric food spoilage sensor THE JOHNS HOPKINS UNIVERSITY (US) 2005-08-02 US disclosed
US-20040014235-A1 Polymeric food spoilage sensor KELLY CRAIG A (US) 2004-01-22 US disclosed
US-6593142-B2 Polymer undergoes a detectable color change upon exposure to a biogenic amine THE JOHNS HOPKINS UNIVERSITY 2003-07-15 US disclosed
US-20030100118-A1 POLYMERIC FOOD SPOILAGE SENSOR JOHNS HOPKINS UNIVERSITY, THE 2003-05-29 US disclosed
WO-2001077667-A2 POLYMERIC FOOD SPOILAGE SENSOR THE JOHNS HOPKINS UNIVERSITY (US) 2001-10-18 WO disclosed