SCHEMBL21880038

SCHEMBL21880038

[CH2]C(CC)CCCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
DNM1 Q05193 2/20 0.43
OPRM1 P35372 1/20 0.42
GPR84 Q9NQS5 3/20 0.39
FDPS P14324 3/20 0.39
SPHK1 Q9NYA1 1/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38

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
SCHEMBL103753 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL99299 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL201654 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL6358710 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL101263 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL102070 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL100742 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL26486 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL21880040 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1
SCHEMBL27167 1.00 TSHR (0.44) TSHRTHRBLMNADNM1OPRM1

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
WO-2020085134-A1 TOPICAL COMPOSITION 三洋化成工業株式会社 2020-04-30 WO disclosed