SCHEMBL9212311

SCHEMBL9212311

CCCCCCCCC1(N)CCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
DNM1 Q05193 8/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL9202719 1.00 TSHR (0.38) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL9214782 1.00 TSHR (0.38) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL9207554 1.00 TSHR (0.38) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL9211997 1.00 TSHR (0.38) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL9204519 1.00 TSHR (0.38) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL9202980 1.00 TSHR (0.38) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL9213238 1.00 TSHR (0.38) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL9209531 0.98 TSHR (0.33) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL9210550 0.95 TSHR (0.38) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL9211485 0.95 TSHR (0.38) TSHRTHRBDNM1MEN1KMT2A

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-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed