SCHEMBL11246145

SCHEMBL11246145

C=C(C)C.C=CCCCCCCCCCCCCCCCC

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.80
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 1/20 0.48
ABCC4 O15439 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.40
EP300 Q09472 1/20 0.40
FAAH O00519 1/20 0.39

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
SCHEMBL7786371 1.00 TSHR (0.80) TSHRALDH1A1MEN1CYP3A4KMT2A
SCHEMBL9232393 1.00 TSHR (0.80) TSHRALDH1A1MEN1CYP3A4KMT2A
SCHEMBL28214693 1.00 TSHR (0.80) TSHRALDH1A1MEN1CYP3A4KMT2A
SCHEMBL28110319 1.00 TSHR (0.80) TSHRALDH1A1MEN1CYP3A4KMT2A
SCHEMBL28274560 0.91 TSHR (0.73) TSHRALDH1A1MEN1CYP3A4KMT2A
Hydrogen Peroxide SCHEMBL11725698 0.90 TSHR (0.89) TSHRALDH1A1KMT2AABCC4MAPT
Methyl Alcohol SCHEMBL3121264 0.90 TSHR (0.89) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL23539923 0.89 TSHR (1.00) TSHRALDH1A1ABCC4MAPTTHRB
SCHEMBL11900218 0.89 TSHR (1.00) TSHRALDH1A1ABCC4MAPTTHRB
SCHEMBL7153127 0.89 TSHR (1.00) TSHRALDH1A1ABCC4MAPTTHRB

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
US-4317739-A Aminated sulfurized olefin funtionalized with a boron compound and formaldehyde STANDARD OIL COMPANY (INDIANA) (US) 1982-03-02 US disclosed