SCHEMBL7050131

SCHEMBL7050131

O=C(O)C1CC2(CC3CCCO3)C=CC1C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HCAR3 P49019 1/20 0.34
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL9722128 0.75 GRM4 (0.32) ALDH1A1MEN1KMT2APOLBCYP2D6
SCHEMBL7048008 0.74 HTR7 (0.36)
SCHEMBL28115075 0.72 GRM2 (0.32) ALDH1A1MEN1KMT2ACYP2D6CYP2C9
SCHEMBL7047190 0.68
SCHEMBL17451242 0.62 CYP2C19 (0.44) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL23426218 0.61
SCHEMBL321670 0.60
SCHEMBL1698570 0.60
SCHEMBL1698442 0.60
SCHEMBL31533275 0.60 APLNR (0.35) ALDH1A1MEN1KMT2APOLBCYP2D6

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
US-20030219680-A1 Photoresists useful for microfabrication utilizing deep ultraviolet rays such as an excimer laser, x-rays such as synchrotron radiation, and electron beams JSR CORPORATION (JP) 2003-11-27 US disclosed