SCHEMBL10733451

SCHEMBL10733451

COC(=O)CC1=C(CC(=O)OC)c2cc(Cl)ccc2Oc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
HDAC4 P56524 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40

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
SCHEMBL10732463 0.87 P2RX4 (0.44) MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10960137 0.80 AHR (0.38) MAPK1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL5249547 0.77 MAPK1 (0.39) MAPK1MEN1ABCB11LMNACYP1A2
SCHEMBL10728040 0.76 TP53 (0.45) MEN1ABCB11LMNACYP1A2CYP3A4
SCHEMBL10729951 0.75 MAPK1 (0.50) MAPK1MEN1ABCB11LMNACYP1A2
SCHEMBL10730117 0.74 MAPK1 (0.49) MAPK1MEN1ABCB11LMNACYP1A2
SCHEMBL4363213 0.73 MAPK1 (0.41) MAPK1MEN1ABCB11LMNACYP1A2
SCHEMBL10732001 0.72 MAPK1 (0.42) MAPK1MEN1ABCB11LMNACYP1A2
SCHEMBL10731007 0.72 MAPK1 (0.47) MAPK1MEN1ABCB11LMNACYP1A2
SCHEMBL11096130 0.71 MEN1 (0.41) MAPK1MEN1ABCB11LMNACYP1A2

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-4707476-A TRANQUILIZERS CIBA-GEIGY CORPORATION (US) 1987-11-17 US disclosed