SCHEMBL8417022

SCHEMBL8417022

COC(=O)C1CCC(N2CCN(c3ccc(C4(C)CCN(C(=O)C(F)(F)F)CC4)cc3)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.38
LCK P06239 4/20 0.36
JAK3 P52333 4/20 0.36
EGFR P00533 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
BTK Q06187 2/20 0.35
PDK2 Q15119 1/20 0.34
F10 P00742 1/20 0.34
MAPT P10636 1/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL8417020 1.00 RORC (0.38) RORCLCKJAK3EGFRHRH3
SCHEMBL7390351 0.84 HRH3 (0.41) HRH3BTKPDK2F10ALDH1A1
SCHEMBL7390348 0.84 HRH3 (0.41) HRH3BTKPDK2F10ALDH1A1
SCHEMBL7391658 0.82 RORC (0.38) RORCHRH3PDK2MAPTALDH1A1
SCHEMBL7391655 0.82 RORC (0.38) RORCHRH3PDK2MAPTALDH1A1
Hydrochloric Acid SCHEMBL8413942 0.78 HRH3 (0.43) RORCHRH3BTKMAPTCA12
SCHEMBL7394211 0.77 MAPT (0.41) HRH3BTKMAPTCA12CA1
SCHEMBL7394208 0.77 MAPT (0.41) HRH3BTKMAPTCA12CA1
SCHEMBL7360259 0.75 SMN1; SMN2 (0.39) BTKMAPTALDH1A1GAA
SCHEMBL7354083 0.75 SMN1; SMN2 (0.39) BTKMAPTALDH1A1GAA

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
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed