SCHEMBL19981404

SCHEMBL19981404

NC1CCCCCCCCCCC1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.47
FKBP1A P62942 2/20 0.46
EPHX1 P07099 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
CPB1 P15086 1/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL20411461 1.00 TSHR (0.48) TSHRALDH1A1FKBP1AEPHX1SMN1; SMN2
SCHEMBL20411427 1.00 TSHR (0.48) TSHRALDH1A1FKBP1AEPHX1SMN1; SMN2
SCHEMBL10137530 0.98 TSHR (0.49) TSHRALDH1A1FKBP1ASMN1; SMN2NPC1
SCHEMBL30268981 0.95 TSHR (0.52) TSHRALDH1A1FKBP1ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL30288643 0.94 TSHR (0.54) TSHRALDH1A1FKBP1ASMN1; SMN2NPC1
Trifluoroacetic Acid SCHEMBL31031953 0.88 TSHR (0.46) TSHRALDH1A1FKBP1ASMN1; SMN2NPC1
SCHEMBL16347238 0.88 TSHR (0.55) TSHRALDH1A1FKBP1AEPHX1SMN1; SMN2
SCHEMBL17766262 0.88 TSHR (0.55) TSHRALDH1A1FKBP1AEPHX1SMN1; SMN2
SCHEMBL16121069 0.83 RAB9A (0.54) TSHRALDH1A1FKBP1ASMN1; SMN2NPC1
SCHEMBL7897961 0.83 RAB9A (0.54) TSHRALDH1A1FKBP1ASMN1; SMN2NPC1

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-20180081085-A1 Electronic Devices Having Scratch-Resistant Antireflection Coatings APPLE INC. 2018-03-22 US disclosed