SCHEMBL18600102

SCHEMBL18600102

CCCCC(CC)(CCC)CCC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.33
FDPS P14324 1/20 0.32
CES2 O00748 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL5070254 1.00 TSHR (0.35) TSHRLMNATHRBFDPSCES2
SCHEMBL8895789 0.94 TSHR (0.37) TSHRTHRBFDPSCES2LPAR1
SCHEMBL7177286 0.94 TSHR (0.35) TSHRLMNATHRBFDPSESR1
SCHEMBL5892589 0.94 TSHR (0.40) TSHRLMNATHRBFDPSCES2
SCHEMBL23666384 0.90
SCHEMBL5898104 0.87
SCHEMBL10930115 0.87 TSHR (0.40) TSHRLMNATHRBFDPSCES2
SCHEMBL16286664 0.87 TSHR (0.40) TSHRLMNATHRBFDPSESR1
SCHEMBL208096 0.87 TSHR (0.40) TSHRLMNATHRBFDPSESR1
SCHEMBL9248668 0.87 TSHR (0.33) TSHRFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4180427-A1 COMPOUND CAPABLE OF INHIBITING AND DEGRADING ANDROGEN RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICAL USES THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 EP disclosed
EP-2078003-B1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2017-03-08 EP disclosed