SCHEMBL8897375

SCHEMBL8897375

CC(C)CCCCC(O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 1/20 0.33
TRPA1 O75762 1/20 0.33
BLM P54132 1/20 0.32
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4547683 0.83 TSHR (0.48) TSHRMEN1CYP3A4ALOX15KMT2A
SCHEMBL5127678 0.83 TSHR (0.53) TSHRACACBACACA
SCHEMBL10894635 0.79 TSHR (0.43) TSHRLMNAMEN1KMT2AACACB
SCHEMBL2395540 0.79 TSHR (0.50) TSHRLMNACYP3A4TRPA1BLM
SCHEMBL7527642 0.77 LMNA (0.42) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL8898357 0.77 TSHR (0.48) TSHRLMNACYP3A4BLM
SCHEMBL7527645 0.77 LMNA (0.42) LMNAMEN1CYP3A4ALOX15KMT2A
SCHEMBL3761793 0.77 TSHR (0.48) TSHRLMNACYP3A4BLM
SCHEMBL1927975 0.77 TSHR (0.48) TSHRLMNACYP3A4BLM
SCHEMBL10026571 0.77 MEN1 (0.44) TSHRLMNAMEN1CYP3A4ALOX15

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-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed