SCHEMBL11742005

SCHEMBL11742005

CCCCCCCCCCCl.CCCCCCCCCCl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 1.00
ALDH1A1 P00352 3/20 1.00
TDP1 Q9NUW8 1/20 0.71
THRB P10828 1/20 0.61
DNM1 Q05193 6/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.44
FAAH O00519 1/20 0.44
SLC22A1 O15245 1/20 0.44

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
SCHEMBL11105411 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
SCHEMBL5571322 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
SCHEMBL10959127 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
SCHEMBL44335 1.00
SCHEMBL5575823 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
SCHEMBL5575281 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
SCHEMBL4063990 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
Hexane SCHEMBL8333520 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
SCHEMBL22186971 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1
SCHEMBL502446 1.00 TSHR (1.00) TSHRALDH1A1TDP1THRBDNM1

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-4057413-A Methods and compositions for regulating plant growth using piperazine compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-11-08 US disclosed