SCHEMBL8389461

SCHEMBL8389461

CCCCCCCCCCCCOc1ccc(NC(=O)c2cccc(O)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.65
KDR P35968 3/20 0.64
THRB P10828 1/20 0.64
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ADRB2 P07550 2/20 0.59
SMPD1 P17405 3/20 0.58
FAAH O00519 4/20 0.56
NPC1 O15118 1/20 0.56

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
SCHEMBL9713307 0.88 NR1H4 (0.76) NR1H4THRBMEN1KMT2ANPC1
SCHEMBL12189684 0.88 NR1H4 (0.65) NR1H4THRBMEN1KMT2AADRB2
SCHEMBL9713595 0.87 NR1H4 (0.78) NR1H4THRBMEN1KMT2AADRB2
SCHEMBL9453351 0.86 NR1H4 (0.73) NR1H4MEN1KMT2AFAAHNPC1
SCHEMBL9160327 0.85 MEN1 (0.62) NR1H4THRBMEN1KMT2AADRB2
SCHEMBL8390939 0.85 SMN1; SMN2 (0.67) NR1H4MEN1KMT2AFAAH
SCHEMBL8757069 0.85 SMN1; SMN2 (0.67) NR1H4MEN1KMT2AFAAH
SCHEMBL8756930 0.85 SMN1; SMN2 (0.67) NR1H4MEN1KMT2AFAAH
SCHEMBL8390958 0.85 SMN1; SMN2 (0.67) NR1H4MEN1KMT2AFAAH
SCHEMBL8756528 0.82 TRPV1 (0.58) THRBSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6004899-A SURFACE TREATED WITH SILANE, TITANATE, AND/OR ALUMINUM COUPLING AGENT; PIGMENT; ERASIBILITY MITSUBISHI PAPER MILLS LIMITED (JP) 1999-12-21 US disclosed
EP-0574879-B1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1997-05-02 EP disclosed
US-5395815-A Phenolic compound electron acceptor; images; contrast; stability MITSUBISHI PAPER MILLS LIMITED (JP) 1995-03-07 US disclosed
EP-0574879-A1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1993-12-22 EP disclosed