SCHEMBL20118705

SCHEMBL20118705

CCC(CC)CC(CSC)CC(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL597708 0.81
SCHEMBL20206883 0.75 CYP3A4 (0.32) CYP3A4CYP2D6TSHRNFKB1THPO
SCHEMBL4652961 0.74 TSHR (0.39) CYP3A4CYP2D6TSHRNFKB1THPO
SCHEMBL87294 0.74
Hypochlorous Acid SCHEMBL11418116 0.73 TSHR (0.37) TSHR
SCHEMBL22779212 0.72 CACNA2D1 (0.46) CYP3A4CYP2D6TSHRNFKB1THPO
SCHEMBL4275832 0.71 ALDH1A1 (0.33) CYP3A4TSHRTDP1
SCHEMBL22013954 0.70 CYP3A4 (0.32) CYP3A4CYP2D6TSHRNFKB1THPO
SCHEMBL29204348 0.68 TSHR (0.39) CYP3A4CYP2D6TSHRNFKB1THPO
SCHEMBL31683807 0.67

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-3315531-A1 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY Xiamen Sinopeg Biotech Co., Ltd. (CN) 2018-05-02 EP disclosed