SCHEMBL29078656

SCHEMBL29078656

CC(C)(C)C1=C(CC(=O)O)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.35
RXRB P28702 3/20 0.35
RXRG P48443 3/20 0.35
NR1H4 Q96RI1 3/20 0.32
EPHX2 P34913 1/20 0.32
POLB P06746 1/20 0.32
MITF O75030 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
SCHEMBL10721635 0.78 POLB (0.39) RXRARXRBRXRGPOLB
SCHEMBL28914492 0.72 RXRA (0.35) RXRARXRBRXRGPOLB
SCHEMBL5605585 0.72 POLB (0.36) RXRARXRBRXRGPOLB
SCHEMBL11796420 0.68 SLC6A2 (0.37) POLBMITF
SCHEMBL903597 0.68 POLB (0.38) POLB
SCHEMBL30060319 0.67 SLC6A3 (0.45)
SCHEMBL4452693 0.67
SCHEMBL9444660 0.65 POLB (0.33) POLB
SCHEMBL11875776 0.65 POLB (0.33) POLB
SCHEMBL13086586 0.64 KDM4E (0.44) POLB

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
CN-112888672-B Novel organoleptic compounds 国际香料和香精公司 2023-09-29 CN disclosed
CN-111018680-B Novel cyclopropylmethoxy derivatives 国际香料和香精公司 2023-07-28 CN disclosed