SCHEMBL30525550

SCHEMBL30525550

CC(C)c1cc2c(c(O)c1O)[C@@]1(CO)CCCC(C)(C)[C@@H]1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 15/20 1.00
▸ BCL9 O00512 3/20 0.64
▸ CTNNB1 P35222 3/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ HPGD P15428 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ PTGES O14684 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ PNLIP P16233 1/20 0.64
▸ ALOX12 P18054 1/20 0.64
▸ GSTO1 P78417 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ USP2 O75604 1/20 0.64
▸ TP53 P04637 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64

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
SCHEMBL720556 1.00 FDPS (1.00) FDPSBCL9CTNNB1ALDH1A1CYP3A4
SCHEMBL6658577 0.89 FDPS (0.80) FDPSBCL9CTNNB1ALDH1A1CYP3A4
SCHEMBL32659910 0.83 FDPS (0.70) FDPSBCL9CTNNB1ALDH1A1CYP3A4
Pisiferol SCHEMBL27950408 0.82 FDPS (0.70) FDPSBCL9CTNNB1ALDH1A1CYP3A4
Pisiferol SCHEMBL30298475 0.82 FDPS (0.70) FDPSBCL9CTNNB1ALDH1A1CYP3A4
Carnosic Acid SCHEMBL12590737 0.78 FDPS (1.00) FDPSBCL9CTNNB1ALDH1A1CYP3A4
Carnosic Acid SCHEMBL9923661 0.78 FDPS (1.00) FDPSBCL9CTNNB1ALDH1A1CYP3A4
Carnosic Acid SCHEMBL13309664 0.78 FDPS (1.00) FDPSBCL9CTNNB1ALDH1A1CYP3A4
Carnosic Acid SCHEMBL29390188 0.78 FDPS (1.00) FDPSBCL9CTNNB1ALDH1A1CYP3A4
Carnosic Acid SCHEMBL18290359 0.78 FDPS (1.00) FDPSBCL9CTNNB1ALDH1A1CYP3A4

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
EP-4114383-B1 TRICYCLIC DITERPENE ISOLATED FROM PINE ROSIN FOR THE TREATMENT OF PAIN AND INFLAMMATION UNIV SOUTH FLORIDA (US) 2023-08-09 — — EP disclosed
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