SCHEMBL28623233

SCHEMBL28623233

O=C1CCCC(=O)OC(=O)CCC(=O)O1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.79
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CRBN Q96SW2 1/20 0.35
TRIM24 O15164 2/20 0.33
TRIM33 Q9UPN9 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL10784806 1.00 TSHR (0.79) TSHRCA1CA9ALDH1A1LMNA
SCHEMBL29019424 0.97 TSHR (0.73) TSHRCA1CA9ALDH1A1LMNA
SCHEMBL19926 0.96
Ammonia Solution, Strong SCHEMBL8041261 0.93
SCHEMBL31744124 0.91 TSHR (0.65) TSHRCA1CA9ALDH1A1LMNA
SCHEMBL8692870 0.90 TSHR (0.73) TSHRCA1CA9ALDH1A1LMNA
Hydrochloric Acid SCHEMBL6384790 0.90 TSHR (0.62) TSHRCA1CA9ALDH1A1LMNA
SCHEMBL23754669 0.89 TSHR (0.71) TSHRCA1CA9ALDH1A1LMNA
SCHEMBL320487 0.89
Cyclohexane SCHEMBL29148163 0.89 TSHR (0.85) TSHRCA1CA9ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119157823-A Injectable nano composite hydrogel, preparation method and application thereof 上海市第一人民医院 2024-12-20 CN claimed
CN-118032839-A Method for detecting substitution rate of active groups in multi-arm polyethylene glycol 天津键凯科技有限公司 2024-05-14 CN claimed
CN-119424750-A Medical dura mater (spinal) membrane repair hydrogel and kit 天津市康尔医疗器械有限公司 2025-02-14 CN disclosed
CN-119157823-A Injectable nano composite hydrogel, preparation method and application thereof 上海市第一人民医院 2024-12-20 CN disclosed
CN-118032839-A Method for detecting substitution rate of active groups in multi-arm polyethylene glycol 天津键凯科技有限公司 2024-05-14 CN disclosed
CN-113384616-A Mucous membrane moisturizing cleaning agent and preparation method and application thereof 广州千行进出口有限公司 2021-09-14 CN disclosed