Sugi Predict

Sugi Predict / Compounds / SCHEMBL20123328

SCHEMBL20123328

SCHEMBL20123328

CCCCOC(C)(C)CCC#N

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADRB2 P07550 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ ADRB3 P13945 1/20 0.30

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
SCHEMBL30940577 0.78 ADRB2 (0.38) TSHRADRB2ADRB1ADRB3
SCHEMBL13825811 0.76 ADRB2 (0.36) TSHRADRB2ADRB1ADRB3
SCHEMBL20352213 0.76 MEN1 (0.32) MEN1KMT2A
SCHEMBL12324142 0.76 MEN1 (0.32) TSHRMEN1KMT2A
SCHEMBL10065705 0.76 MEN1 (0.35) MEN1KMT2A
SCHEMBL24122604 0.76 MEN1 (0.32) MEN1KMT2A
SCHEMBL19308264 0.74 CYP3A4 (0.36) TSHRADRB2ADRB1ADRB3
SCHEMBL27850922 0.74 ADRB2 (0.35) TSHRADRB2ADRB1ADRB3
SCHEMBL126371 0.72 ADRB2 (0.33) TSHRADRB2ADRB1ADRB3
SCHEMBL23685924 0.72 ADRB2 (0.33) TSHRADRB2ADRB1ADRB3

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
EP-3318591-A1 HETERO TYPE MONODISPERSED POLYETHYLENE GLYCOL, INTERMEDIATE FOR PRODUCTION OF HETERO TYPE MONODISPERSED POLYETHYLENE GLYCOL, METHODS FOR PRODUCING SAME, AND HETERO TYPE MONODISPERSED POLYETHYLENE GLYCOL CONJUGATE Tohoku Techno Arch Co., Ltd. (JP) 2018-05-09 — — EP disclosed