SCHEMBL3892013

SCHEMBL3892013

CC(C)C1=CC2=C(CC1)[C@@]1(C)CCC[C@@](C)(CC(=O)O)[C@@H]1CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.45
▸ CYP3A4 P08684 5/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KARS1 Q15046 2/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ ALOX15 P16050 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PDK1 Q15118 2/20 0.39
▸ PDK2 Q15119 2/20 0.39
▸ PDK3 Q15120 2/20 0.39
▸ PDK4 Q16654 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ TSHR P16473 2/20 0.39

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
SCHEMBL30018920 0.86 KARS1 (0.55) CYP3A4CYP2C19MEN1MAPK1KMT2A
SCHEMBL151742 0.82 KARS1 (0.56) CYP3A4CYP2C19MEN1MAPK1KMT2A
SCHEMBL151741 0.82 KARS1 (0.56) CYP3A4CYP2C19MEN1MAPK1KMT2A
SCHEMBL151743 0.82 KARS1 (0.56) CYP3A4CYP2C19MEN1MAPK1KMT2A
SCHEMBL21683296 0.79 CYP3A4 (0.48) CYP3A4CYP2C19MEN1MAPK1KMT2A
SCHEMBL24575142 0.74 KARS1 (0.49) PTGS1CYP3A4CYP2C19KARS1ALOX15
SCHEMBL13570262 0.74 CYP3A4 (0.42) CYP3A4CYP2C19MEN1MAPK1KMT2A
SCHEMBL20856804 0.73 KARS1 (0.76) CYP3A4CYP2C19MEN1MAPK1KMT2A
SCHEMBL15072076 0.73 CYP3A4 (0.41) CYP3A4CYP2C19MEN1MAPK1KMT2A
SCHEMBL18290206 0.70 KARS1 (0.66) CYP3A4CYP2C19MEN1MAPK1KMT2A

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-1578854-B1 INHIBITION OF ROSIN CRYSTALLIZATION EASTMAN CHEM CO (US) 2009-01-21 — — EP claimed
EP-0567000-B1 Dicyclopentadiene alcohol rosin acid derivatives GOODYEAR TIRE & RUBBER (US) 1995-10-11 — — EP claimed
Send feedback