SCHEMBL10548466

SCHEMBL10548466

O=C(CC1=CCCCC1)OC1=CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.38
GSTP1 P09211 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
EPHX1 P07099 2/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALOX15 P16050 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8034777 0.95 ALDH1A1 (0.33) ALDH1A1HPGDGSTP1TAAR1THRB
SCHEMBL3775177 0.82 GSTP1 (0.37) ALDH1A1HPGDGSTP1TAAR1SMN1; SMN2
SCHEMBL7566848 0.80 GSTP1 (0.36) ALDH1A1HPGDGSTP1TAAR1SMN1; SMN2
SCHEMBL472137 0.79 HPGD (0.48) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL1695435 0.79 ESR1 (0.41) ALDH1A1GSTP1SMN1; SMN2NPC1RAB9A
SCHEMBL472083 0.79 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3364604 0.79 GSTP1 (0.36) ALDH1A1GSTP1RAB9A
SCHEMBL10736533 0.79 ALDH1A1 (0.40) ALDH1A1HPGDGSTP1TAAR1THRB
SCHEMBL4049811 0.79 KMT2A (0.36) ALDH1A1HPGDGSTP1SMN1; SMN2RAB9A
SCHEMBL17373966 0.79 ALDH1A1 (0.40) ALDH1A1HPGDGSTP1TAAR1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4873273-A THERMOSETTING RESIN JAMES RIVER-NORWALK, INC. (US) 1989-10-10 US disclosed
US-4740392-A POLYMER, EPOXY-COMPOUND, QUATERNARY AMMONIUM COMPOUND AND MONOMERIC ACID JAMES RIVER-NORWALK, INC. (US) 1988-04-26 US disclosed