SCHEMBL16745697

SCHEMBL16745697

CCC(C)c1ccc(NCCCCCC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 5/20 0.42
KMT2A Q03164 3/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 4/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
MAPK1 P28482 1/20 0.42
TBXA2R P21731 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL16745698 0.99 TSHR (0.49) TSHRNPSR1ALDH1A1RAB9AKMT2A
SCHEMBL16745695 0.94 TSHR (0.50) TSHRNPSR1ALDH1A1RAB9AKMT2A
SCHEMBL4981119 0.81 TSHR (0.49) TSHRNPSR1ALDH1A1RAB9AKMT2A
SCHEMBL17717482 0.80 TSHR (0.43) TSHRNPSR1ALDH1A1RAB9AKMT2A
SCHEMBL11935537 0.79 SLC7A5 (0.45) TSHRNPSR1ALDH1A1RAB9AKMT2A
Bromide SCHEMBL11479243 0.79 EPHX1 (0.49) ALDH1A1
SCHEMBL1938687 0.79 FFAR1 (0.54) ALDH1A1ITGB3ITGA2BPOLBMAPT
SCHEMBL4080945 0.78 TSHR (0.64) TSHRNPSR1ALDH1A1RAB9AKMT2A
SCHEMBL16745271 0.78 TSHR (0.41) TSHRNPSR1ALDH1A1RAB9AKMT2A
SCHEMBL17717488 0.78 TOP2A (0.47) TSHRNPSR1ALDH1A1RAB9AKMT2A

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-9316915-B2 Negative resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-19 US disclosed
US-20150147698-A1 NEGATIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-05-28 US disclosed