SCHEMBL8620993

SCHEMBL8620993

CC1CC[C@@H](C(C)C)[C@H](COOC(=O)[C@H]2C(=O)C=CC[C@@H]2C)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP19A1 P11511 2/20 0.33
EPHX1 P07099 3/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
HPGD P15428 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL114684 0.74 EPHX1 (0.44) ALDH1A1CYP19A1EPHX1TRPM8HPGD
SCHEMBL8620995 0.67 ALDH1A1 (0.34) ALDH1A1CYP19A1EPHX1LMNATRPM8
SCHEMBL435682 0.66 ALDH1A1 (0.46) OPRD1ALDH1A1TSHR
SCHEMBL114683 0.66 EPHX1 (0.46) ALDH1A1CYP19A1EPHX1USP2LMNA
SCHEMBL7727816 0.66 ALDH1A1 (0.41) OPRD1ALDH1A1TSHRHPGD
SCHEMBL113449 0.64 TRPM8 (0.48) ALDH1A1CYP19A1EPHX1LMNATRPM8
SCHEMBL4594644 0.64 EPHX1 (0.44) ALDH1A1CYP19A1EPHX1TRPM8HPGD
SCHEMBL29450387 0.64 EPHX1 (0.44) ALDH1A1CYP19A1EPHX1TRPM8HPGD
SCHEMBL4455481 0.64 EPHX1 (0.44) ALDH1A1CYP19A1EPHX1TRPM8HPGD
SCHEMBL21350192 0.62 MEN1 (0.46) ALDH1A1CYP19A1LMNATSHRTRPM8

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-5763451-A Dynemicin analogs CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-09 US disclosed