SCHEMBL14428542

SCHEMBL14428542

CCc1ccc(OC(=O)OC2(C)C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.46
▸ CYP19A1 P11511 2/20 0.46
▸ RAB9A P51151 1/20 0.40
▸ HSD11B1 P28845 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35

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
SCHEMBL14428543 0.88 CYP17A1 (0.43) CYP17A1CYP19A1HSD11B1MEN1MAPT
SCHEMBL14428546 0.83 CYP17A1 (0.40) CYP17A1CYP19A1HSD11B1MAPT
SCHEMBL14428545 0.83 CYP17A1 (0.49) CYP17A1CYP19A1RAB9APOLBMEN1
SCHEMBL14428553 0.80 CYP19A1 (0.46) CYP17A1CYP19A1RAB9APOLBMEN1
SCHEMBL23382809 0.75 CYP17A1 (0.36) CYP17A1CYP19A1HSD11B1MEN1MAPT
SCHEMBL14428534 0.75 EPHX2 (0.39) RAB9APOLBMEN1MAPTRECQL
SCHEMBL5880684 0.75 CYP17A1 (0.44) CYP17A1CYP19A1HSD11B1
SCHEMBL47952 0.75 RAB9A (0.56) RAB9APOLBMEN1KMT2AALDH1A1
SCHEMBL13155849 0.74 CYP19A1 (0.46) CYP19A1RAB9APOLBMEN1MAPT
SCHEMBL14428570 0.72 CYP19A1 (0.46) CYP17A1CYP19A1RAB9AHSD11B1POLB

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-20070190451-A1 Calixresorcinarene compounds, photoresist base materials, and compositions thereof IDEMITSU KOSAN CO., LTD. (JP) 2007-08-16 — — US disclosed
Send feedback