SCHEMBL22987326

SCHEMBL22987326

CC(C)(C)SSCCCC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 2/20 0.32
SOAT1 P35610 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
FOLH1 Q04609 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL19733437 0.83 ALDH1A1 (0.38) LMNAFOLH1TSHR
SCHEMBL20393509 0.82
SCHEMBL27102371 0.81
SCHEMBL3078846 0.78 TSHR (0.45) CNR1KDM4ESOAT1LMNAMEN1
SCHEMBL9883725 0.77 SMN1; SMN2 (0.36) CNR1KDM4ESOAT1LMNAMEN1
SCHEMBL19084471 0.76 CASP2 (0.41) KDM4EMEN1FAAHKMT2A
SCHEMBL2863391 0.75 FOLH1 (0.32) LMNAFOLH1TSHR
SCHEMBL31457164 0.75 TSHR (0.48) LMNAMEN1KMT2ATSHR
SCHEMBL12656182 0.75 TSHR (0.57) LMNACYP1A2KMT2AFOLH1TSHR
SCHEMBL5067235 0.74 TSHR (0.48) KDM4ESOAT1LMNAMEN1FAAH

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
EP-3778601-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2021-02-17 EP disclosed