SCHEMBL24581306

SCHEMBL24581306

CC(C)NCSCCNC(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
POLB P06746 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 3/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
RECQL P46063 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
USP2 O75604 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
SCHEMBL12248328 0.79 POLB (0.38) TSHRPOLBGFERKMT2ACYP2C19
SCHEMBL14521484 0.79 TSHR (0.45) TSHRPOLBGFERKMT2ACYP2C19
SCHEMBL12438066 0.76 USP2 (0.44) TSHRPOLBGFERKMT2ACYP2C19
SCHEMBL14077043 0.76 KMT2A (0.43) TSHRPOLBGFERKMT2ACYP2C19
SCHEMBL24811359 0.76 TSHR (0.42) TSHRPOLBGFERKMT2ACYP2C19
SCHEMBL25791501 0.76 TSHR (0.47) TSHRPOLBGFERKMT2ACYP2C19
SCHEMBL12633370 0.74 ALDH1A1 (0.58) TSHRPOLBGFERKMT2ACYP2C19
SCHEMBL12607684 0.72 POLB (0.41) TSHRPOLBGFERKMT2ACYP2C19
SCHEMBL20346222 0.72 KMT2A (0.49) TSHRKMT2ACYP2C19CYP2D6CYP2C9
SCHEMBL12131751 0.72 USP2 (0.55) TSHRPOLBGFERKMT2ACYP2C19

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
EP-4393937-A1 STEROID COMPOUND AND CONJUGATE THEREOF Duality Biologics (Suzhou) Co., Ltd. (CN) 2024-07-03 EP disclosed
WO-2022135332-A1 STEROID CONJUGATE 映恩生物制药(苏州)有限公司 2022-06-30 WO disclosed