SCHEMBL9345789

SCHEMBL9345789

COc1ccc(C[C@]23CC=C4[C@H]5CCCCC5=CC[C@H]4[C@@H]2CCC3)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.32
▸ STS P08842 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ EPHX2 P34913 1/20 0.31

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
SCHEMBL9447841 0.79 ALDH1A1 (0.36) ALDH1A1LMNASTSNPC1RAB9A
SCHEMBL9350090 0.69 STS (0.36) ALDH1A1LMNASTSNPC1RAB9A
SCHEMBL9345782 0.68 — —
SCHEMBL9441400 0.60 BCHE (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL13503970 0.57 ALDH1A1 (0.41) ALDH1A1
SCHEMBL14223754 0.56 HRH3 (0.41) ALDH1A1SLC6A4SLC6A3
SCHEMBL1822033 0.56 MAOB (0.47) SLC6A4SLC6A3
SCHEMBL31304814 0.56 TSHR (0.47) ALDH1A1SLC6A4SLC6A3
SCHEMBL1824702 0.55 MAOB (0.55) ALDH1A1SMN1; SMN2SLC6A4
SCHEMBL3365060 0.55 LTA4H (0.51) EPHX2

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-5359054-A Progesterone inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 1994-10-25 — — US disclosed
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