SCHEMBL21239635

SCHEMBL21239635

C=C(CI)[C@@H]1CC=C(C)[C@H](O)C1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.64
▸ TP53 P04637 1/20 0.64
▸ ALOX15 P16050 2/20 0.36
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.30

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
Carveol SCHEMBL56868 0.78 TSHR (1.00) TSHRTP53ALOX15LMNAALDH1A1
Carveol SCHEMBL564464 0.78 TSHR (1.00) TSHRTP53ALOX15LMNAALDH1A1
Carveol SCHEMBL20201316 0.78 TSHR (1.00) TSHRTP53ALOX15LMNAALDH1A1
Carveol SCHEMBL180292 0.78 TSHR (1.00) TSHRTP53ALOX15LMNAALDH1A1
Carveol SCHEMBL18339543 0.78 TSHR (1.00) TSHRTP53ALOX15LMNAALDH1A1
SCHEMBL12565062 0.78 TSHR (0.72) TSHRTP53ALOX15LMNAALDH1A1
Carveol SCHEMBL14763904 0.78 TSHR (1.00) TSHRTP53ALOX15LMNAALDH1A1
Carveol SCHEMBL20586300 0.78 TSHR (1.00) TSHRTP53ALOX15LMNAALDH1A1
Carveol SCHEMBL15011580 0.78 TSHR (1.00) TSHRTP53ALOX15LMNAALDH1A1
Carveol SCHEMBL15011317 0.78 TSHR (1.00) TSHRTP53ALOX15LMNAALDH1A1

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
EP-3079679-B1 METHOD OF TREATMENT OF ALOPECIA WITH MONOTERPENOIDS CELLMID LTD (AU) 2019-08-14 — — EP disclosed
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