SCHEMBL29325973

SCHEMBL29325973

CC1CC(OC(=O)C2CC3C=CC2C3)CC(C)(C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
LMNA P02545 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.36
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 1/20 0.34
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
ESR2 Q92731 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL14422632 0.79 LMNA (0.49) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL4400474 0.79 LMNA (0.47) ALDH1A1LMNAKDM4EHPGDKMT2A
SCHEMBL29325963 0.77 LMNA (0.43) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL3365931 0.75 LMNA (0.47) ALDH1A1LMNACYP3A4CYP2C19KDM4E
SCHEMBL13888479 0.75 KDM4E (0.36) ALDH1A1LMNAKDM4EHPGDKMT2A
SCHEMBL11591288 0.74 ALDH1A1 (0.56) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL11591282 0.74 ALDH1A1 (0.56) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL15071087 0.74 LMNA (0.45) ALDH1A1LMNACYP3A4CYP1A2CYP2C9
SCHEMBL20375290 0.74 LMNA (0.46) ALDH1A1LMNACYP3A4CYP2C19KDM4E
SCHEMBL947840 0.74 LMNA (0.46) ALDH1A1LMNACYP3A4CYP2C19KDM4E

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
US-20240239952-A1 MATERIALS FOR RING-OPENING METATHESIS POLYMERIZATION AND USES THEREOF Inkbit, LLC (US) 2024-07-18 US disclosed
US-20240239952-A1 MATERIALS FOR RING-OPENING METATHESIS POLYMERIZATION AND USES THEREOF Inkbit, LLC (US) 2024-07-18 US disclosed