SCHEMBL11129698

SCHEMBL11129698

C=CCP(CCCC)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
LTA4H P09960 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
PTGS2 P35354 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
SCHEMBL16351492 0.89 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL49367 0.82 TSHR (0.38) TSHRPCSK9LTA4HPTGS2
SCHEMBL7788089 0.81 TSHR (0.37) TSHRPCSK9LTA4HPTGS2
SCHEMBL7944468 0.81 TSHR (0.37) TSHRPCSK9LTA4HPTGS2
SCHEMBL624569 0.80 CYP3A4 (0.39) TSHRALDH1A1MEN1KMT2A
SCHEMBL15658774 0.79 TSHR (0.36) TSHRPCSK9LTA4HPTGS2
SCHEMBL11474282 0.79 CES2 (0.37) TSHRPCSK9LTA4HPTGS2
Bromide SCHEMBL7610464 0.78 CYP3A4 (0.38) TSHRALDH1A1MEN1KMT2A
SCHEMBL6786715 0.77 TSHR (0.35) TSHRPCSK9LTA4HPTGS2
SCHEMBL6791527 0.77 DNM1 (0.39) MEN1KMT2ALTA4H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0040741-B1 PROCESS FOR THE PREPARATION OF CHLOROFORMIC-ACID ARYL ESTERS BAYER AG (DE) 1983-06-08 EP disclosed
US-4366102-A Process for the preparation of chloroformic acid aryl esters BAYER AKTIENGESELLSCHAFT (DE) 1982-12-28 US disclosed
EP-0040741-A1 Process for the preparation of chloroformic-acid aryl esters BAYER AG (DE) 1981-12-02 EP disclosed