SCHEMBL9769453

SCHEMBL9769453

CCCCCOc1cccc(NC(C)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.67
NR1H4 Q96RI1 3/20 0.64
FAAH O00519 1/20 0.64
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MAPT P10636 2/20 0.60
ALDH1A1 P00352 1/20 0.59
SMPD1 P17405 3/20 0.57
AHR P35869 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
SCHEMBL14544616 0.99 THRB (0.65) THRBNR1H4FAAHMEN1KMT2A
SCHEMBL4727210 0.92 KMT2A (0.67) THRBNR1H4FAAHMEN1KMT2A
SCHEMBL9969534 0.91 SMN1; SMN2 (0.63) THRBNR1H4FAAHMEN1KMT2A
SCHEMBL11546092 0.89 SMN1; SMN2 (0.68) THRBFAAHMEN1KMT2ASMN1; SMN2
SCHEMBL9858310 0.88 NR1H4 (0.68) THRBNR1H4FAAHSMPD1
SCHEMBL11680824 0.87 THRB (0.62) THRBNR1H4FAAHSMN1; SMN2NPC1
SCHEMBL3169131 0.87 KMT2A (0.64) THRBFAAHMEN1KMT2ASMN1; SMN2
SCHEMBL2095695 0.86 FAAH (0.65) THRBNR1H4FAAHALDH1A1SMPD1
SCHEMBL1545948 0.85 KMT2A (0.63) THRBFAAHMEN1KMT2ASMN1; SMN2
SCHEMBL2000945 0.85 KMT2A (0.63) THRBFAAHMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994209-A Optically transparent solid solution of organic compound in polymer FUJI PHOTO FILM CO., LTD. (JP) 1991-02-19 US disclosed