SCHEMBL11040148

SCHEMBL11040148

C=CCCCCCC(Br)CCCC

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.60
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
DNM1 Q05193 2/20 0.34
ABCC4 O15439 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G2C Q5R387 1/20 0.33

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
SCHEMBL28975660 0.96 TSHR (0.67) TSHRALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL11042961 0.92 TSHR (0.54) TSHRALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL17728702 0.89 TSHR (0.46) TSHRALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL2774680 0.85 TSHR (0.50) TSHRALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL27805563 0.85 TSHR (0.50) TSHRALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL2703184 0.85 TSHR (0.42) TSHRALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL29047336 0.83 TSHR (0.60) TSHRALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL1906399 0.83 TSHR (0.65) TSHRALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL1904950 0.83 TSHR (0.65) TSHRALDH1A1SMN1; SMN2MAPTUSP2
SCHEMBL8075806 0.83 TSHR (0.50) TSHRALDH1A1

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
EP-0038052-B1 METHOD FOR THE PREPARATION OF CIS-ALKENYL BROMIDE AND ACETATE Shin-Etsu Chemical Co., Ltd. (JP) 1984-03-07 EP disclosed
EP-0038052-A1 Method for the preparation of cis-alkenyl bromide and acetate Shin-Etsu Chemical Co., Ltd. (JP) 1981-10-21 EP disclosed