SCHEMBL28030593

SCHEMBL28030593

CC(CO)C(C)CCC(C)[C@H]1CC[C@H]2C3=CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHCR24 Q15392 11/20 0.60
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56
USP2 O75604 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
THRB P10828 1/20 0.46
TRPV1 Q8NER1 1/20 0.43
CYP3A4 P08684 1/20 0.41
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
EFNA1 P20827 1/20 0.37
EPHA2 P29317 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37

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
SCHEMBL1237839 1.00 DHCR24 (0.60) DHCR24MEN1KMT2AALDH1A1USP2
SCHEMBL599030 1.00 DHCR24 (0.60) DHCR24MEN1KMT2AALDH1A1USP2
SCHEMBL30266882 0.90 ALDH1A1 (0.56) DHCR24MEN1KMT2AALDH1A1USP2
SCHEMBL30685282 0.90 ALDH1A1 (0.56) DHCR24MEN1KMT2AALDH1A1USP2
SCHEMBL30778467 0.90 ALDH1A1 (0.56) DHCR24MEN1KMT2AALDH1A1USP2
SCHEMBL28001753 0.90 DHCR24 (0.56) DHCR24MEN1KMT2AALDH1A1USP2
SCHEMBL1957036 0.87 ALDH1A1 (0.63) DHCR24MEN1KMT2AALDH1A1USP2
SCHEMBL27774330 0.87 ALDH1A1 (0.63) DHCR24MEN1KMT2AALDH1A1USP2
SCHEMBL7613916 0.86 DHCR24 (0.56) DHCR24MEN1KMT2AALDH1A1USP2
SCHEMBL30875104 0.86 ALDH1A1 (0.58) DHCR24MEN1KMT2AALDH1A1USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106172226-A A kind of cultural method of Gallus Domesticus 广西河池市明达特种养殖专业合作社 2016-12-07 CN disclosed
CN-104873606-A Traditional Chinese medicine external used agent for curing ulcerative gingivitis and preparation method thereof YANG LIZHEN 2015-09-02 CN disclosed