SCHEMBL27614433

SCHEMBL27614433

CCc1cccc(CC)c1C(=O)C(C)(P)CC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.47
▸ GABRB2 P47870 3/20 0.47
▸ RIPK1 Q13546 4/20 0.35
▸ POLB P06746 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ KCNJ6 P48051 1/20 0.33
▸ KCNJ5 P48544 1/20 0.33
▸ KCNJ3 P48549 1/20 0.33
▸ CLCN2 P51788 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ BID P55957 3/20 0.32
▸ MCL1 Q07820 3/20 0.32
▸ BCL2L1 Q07817 2/20 0.32
▸ BAK1 Q16611 2/20 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
SCHEMBL27595778 0.81 F2R (0.36) GABRA1GABRB2POLBLMNACA12
SCHEMBL27614437 0.80 ALDH1A1 (0.44) POLBLMNAKCNJ6KCNJ5KCNJ3
SCHEMBL27614494 0.80 RIPK1 (0.40) GABRA1GABRB2RIPK1CA12
SCHEMBL27614633 0.77 NOTUM (0.37) POLBLMNA
SCHEMBL27595771 0.76 L3MBTL1 (0.44) —
SCHEMBL27506651 0.76 CA12 (0.49) CA12
SCHEMBL27614553 0.73 HPGD (0.30) LMNA
SCHEMBL27614450 0.72 — —
SCHEMBL27595780 0.71 ALDH1A1 (0.33) POLBLMNA
SCHEMBL11750664 0.71 GABRA1 (0.56) GABRA1GABRB2LMNACLCN2CA12

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
CN-1589276-A Multimer of acylphosphines and their derivatives CIBA SC HOLDING AG (CH) 2005-03-02 — — CN disclosed
Send feedback